CHEBI:75335 - 4-nitroanthranilic acid

ChEBI IDCHEBI:75335
ChEBI Name4-nitroanthranilic acid
Stars
DefinitionAn aminobenzoic acid that is anthranilic acid with a nitro substituent at position 4.
Last Modified27 August 2013
Submitternamrata
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FormulaC7H6N2O4
Net Charge0
Average Mass182.135
Monoisotopic Mass182.03276
SMILESNc1cc([N+](=O)[O-])ccc1C(=O)O
InChIInChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11)
InChIKeyUEALKTCRMBVTFN-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).
Biological Role:
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
4-nitroanthranilic acid (CHEBI:75335) has functional parent anthranilic acid (CHEBI:30754)
4-nitroanthranilic acid (CHEBI:75335) has role mutagen (CHEBI:25435)
4-nitroanthranilic acid (CHEBI:75335) is a aminobenzoic acid (CHEBI:22495)
4-nitroanthranilic acid (CHEBI:75335) is a nitrobenzoic acid (CHEBI:25553)
Incoming Relation(s)
2-(benzoylamino)-4-nitrobenzoic acid (CHEBI:75334) has functional parent 4-nitroanthranilic acid (CHEBI:75335)
IUPAC Name 
2-amino-4-nitrobenzoic acid
Registry NumbersSources
Reaxys:785071Reaxys
CAS:619-17-0ChemIDplus
Citations