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CHEBI:61280 - 5-nitroanthranilic acid

ChEBI IDCHEBI:61280
ChEBI Name5-nitroanthranilic acid
Stars
DefinitionAn aminobenzoic acid in which the the amino group is ortho- to the carboxylic acid group, and which is substituted para- to the amino group by a nitro group.
Last Modified27 June 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H6N2O4
Net Charge0
Average Mass182.135
Monoisotopic Mass182.03276
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)O
InChIInChI=1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKeyRUCHWTKMOWXHLU-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-nitroanthranilic acid (CHEBI:61280) is a aminobenzoic acid (CHEBI:22495)
5-nitroanthranilic acid (CHEBI:61280) is conjugate acid of 5-nitroanthranilate (CHEBI:61267)
Incoming Relation(s)
5-nitroanthranilate (CHEBI:61267) is conjugate base of 5-nitroanthranilic acid (CHEBI:61280)
IUPAC Name 
2-amino-5-nitrobenzoic acid
Synonym  Source
1-amino-2-carboxy-4-nitrobenzeneChEBI
Registry NumbersSources
Reaxys:646219Reaxys
CAS:616-79-5ChemIDplus
CAS:616-79-5NIST Chemistry WebBook
Citations