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Substance Name: 4-Nitrohippuric acid
RN: 2645-07-0
UNII: 9HIU46T98M
InChIKey: XCMUCRMMVDSVEL-UHFFFAOYSA-N

Note

  • Major metabolite of 4-nitrobenzoic acid.

Classification Code

  • Mutation Data

Molecular Formula

  • C9-H8-N2-O5

Molecular Weight

  • 224.171
 
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Names and Synonyms

Name of Substance

  • 4-Nitrohippuric acid

Synonyms

  • 4-09-00-01199 (Beilstein Handbook Reference)
  • 4-Nitrohippuric acid
  • BRN 1125394
  • CCRIS 6077
  • EINECS 220-156-5
  • Glycine, N-(p-nitrobenzoyl)-
  • Hippuric acid, p-nitro-
  • N-(p-Nitrobenzoyl)glycine
  • NSC 33334
  • p-Nitrobenzoylglycine
  • p-Nitrohippuric acid
  • UNII-9HIU46T98M

Systematic Names

  • 4-Nitrohippuric acid
  • Glycine, N-(4-nitrobenzoyl)-
  • N-4-Nitrobenzoylglycine

Registry Numbers

CAS Registry Number

  • 2645-07-0

FDA UNII

  • 9HIU46T98M

System Generated Number

  • 0002645070

Structure Descriptors

InChI

1S/C9H8N2O5/c12-8(13)5-10-9(14)6-1-3-7(4-2-6)11(15)16/h1-4H,5H2,(H,10,14)(H,12,13)

InChIKey

XCMUCRMMVDSVEL-UHFFFAOYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)C(NCC(O)=O)=O