Ethyl 2-nitro-α-oxobenzenepropanoate
Also: Ethyl 3-(2-nitrophenyl)-2-oxopropanoate, Ethyl 3-(o-nitrophenyl)pyruvate, NSC-157844
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- cf8e85f0-dc0c-4ee9-88ad-7dc703fd1af6
- Version
- 9
- UNII
- 7X2UW99BD2
- Codes
- Uuid
- 40be3b9c-03d4-40d0-8a84-30e5bd153951
- Code
- 784-98-5
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=784-98-5
- Code system
- CAS
- References
- 117b601e-bd83-4039-8a57-9a35703dabe9, 36f5c2d4-7045-48b7-b0da-87537b5ecb50
- Uuid
- b248a112-7d8b-49dc-a062-e03ab8364072
- Code
- 212-318-9
- Type
- PRIMARY
- Url
- https://echa.europa.eu/substance-information/-/substanceinfo/100.011.199
- Code system
- ECHA (EC/EINECS)
- References
- 117b601e-bd83-4039-8a57-9a35703dabe9
- Uuid
- 05d113b6-d3fc-6ed0-7dad-1785b547918d
- Code
- DTXSID70229064
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID70229064
- Code system
- EPA CompTox
- References
- 64415952-356c-3537-942f-0414d023179c
- Uuid
- faef316b-ec48-6bb1-22d9-666018d2bc84
- Code
- 157844
- Type
- PRIMARY
- Url
- https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=157844
- Code system
- NSC
- References
- 837b7e3f-4a72-484b-3773-5a1b295b53ce
- Uuid
- 81621a49-6203-4d8b-a7f2-bdea937254e7
- Code
- 69915
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/69915
- Code system
- PUBCHEM
- Uuid
- 1d646d54-73bc-434f-9be6-defd921a0c78
- Code
- 7X2UW99BD2
- Type
- PRIMARY
- Code system
- FDA UNII
- Names
- Uuid
- 093784c6-b62d-4af0-8e81-720a600299da
- Name
- Ethyl 2-nitro-α-oxobenzenepropanoate
- StdName
- ETHYL 2-NITRO-.ALPHA.-OXOBENZENEPROPANOATE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 36f5c2d4-7045-48b7-b0da-87537b5ecb50
- Uuid
- 08df5a7c-d484-46f5-9d88-3bd021806803
- Name
- Ethyl 3-(2-nitrophenyl)-2-oxopropanoate
- StdName
- ETHYL 3-(2-NITROPHENYL)-2-OXOPROPANOATE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 4a4f2a74-ac47-4287-bcf0-3d837f592df8
- Uuid
- fe20e887-1517-425f-adb6-0eb6d8dc9a0e
- Name
- Ethyl 3-(o-nitrophenyl)pyruvate
- StdName
- ETHYL 3-(O-NITROPHENYL)PYRUVATE
- Type
- sys
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- 1c5eeafe-49ed-42bb-8f31-ccf1c21ee91e, d39589da-ab75-47a2-a791-690fa5d83d47
- Uuid
- fc5e3a20-6ddd-0392-9a5b-af47f01a1b51
- Name
- NSC-157844
- StdName
- NSC-157844
- Type
- cd
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- 837b7e3f-4a72-484b-3773-5a1b295b53ce
- References
- Uuid
- 1c5eeafe-49ed-42bb-8f31-ccf1c21ee91e
- Citation
- CHEMID
- Doc type
- SRS
- Public domain
- true
- Tags
- NOMEN
- Uuid
- d39589da-ab75-47a2-a791-690fa5d83d47
- Citation
- EPA
- Doc type
- EPA
- Public domain
- true
- Tags
- NOMEN
- Uuid
- 117b601e-bd83-4039-8a57-9a35703dabe9
- Citation
- SRS CODE IMPORT
- Doc type
- SRS
- Public domain
- true
- Document date
- 1493394011000
- Tags
- NOMEN
- Uuid
- 64415952-356c-3537-942f-0414d023179c
- Citation
- WEBSITE
- Url
- https://comptox.epa.gov/dashboard/dsstoxdb/results?utf8=%E2%9C%93&search=784-98-5
- Doc type
- WEBSITE
- Public domain
- true
- Tags
- NOMEN, PUBLIC_DOMAIN_RELEASE
- Uuid
- 36f5c2d4-7045-48b7-b0da-87537b5ecb50
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Uuid
- 837b7e3f-4a72-484b-3773-5a1b295b53ce
- Citation
- NCI
- Doc type
- NCI DRUG DICTIONARY
- Public domain
- true
- Uuid
- 4a4f2a74-ac47-4287-bcf0-3d837f592df8
- Citation
- PUBCHEM
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/69915
- Doc type
- PUBCHEM
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE, NOMEN
- Moieties
- Uuid
- 9951999f-c80a-4129-b9e0-94318b71644c
- ID
- 9951999f-c80a-4129-b9e0-94318b71644c
- Smiles
- CCOC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]
- Formula
- C11H11NO5
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 237.2092
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132107582D 17 17 0 0 0 0 999 V2000 2.3355 -4.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 -3.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -2.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 -2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 -1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0343 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 -1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8965 -1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 -0.3292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3320 0.0848 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8961 0.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 4 2 0 0 0 0 4 6 1 0 0 0 0 7 6 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 10 9 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 15 1 0 0 0 0 17 15 2 0 0 0 0 M CHG 2 15 1 16 -1 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 53de295c-55d6-47b5-80e8-d132f3edaa4f
- Structure
- ID
- 745352cd-ac61-44b8-9025-087174ead66b
- Smiles
- CCOC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]
- Formula
- C11H11NO5
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 237.2092
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132106022D 17 17 0 0 0 0 999 V2000 1.6110 -0.3292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6097 -1.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 -1.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 -1.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7567 -2.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0343 -1.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 0.0848 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8961 0.0751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4716 -2.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0435 -2.7999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3321 -2.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8965 -1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 -3.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6189 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -4.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 -2.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 17 1 0 0 0 0 16 14 1 0 0 0 0 17 13 2 0 0 0 0 12 15 2 0 0 0 0 M CHG 2 1 1 7 -1 M END
- References
- 1c5eeafe-49ed-42bb-8f31-ccf1c21ee91e