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CHEBI:86569 - 5-acetylamino-2-nitrobenzoic acid

ChEBI IDCHEBI:86569
ChEBI Name5-acetylamino-2-nitrobenzoic acid
Stars
DefinitionAn amidobenzoic acid that is benzoic acid substituted by an acetoamido group at position 5 and a nitro group at position 2 respectively.
Last Modified21 July 2015
DownloadsMolfile
FormulaC9H8N2O5
Net Charge0
Average Mass224.172
Monoisotopic Mass224.04332
SMILESCC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIInChI=1S/C9H8N2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4H,1H3,(H,10,12)(H,13,14)
InChIKeyZSHFMOUMOUOGKI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-acetylamino-2-nitrobenzoic acid (CHEBI:86569) is a C-nitro compound (CHEBI:35716)
5-acetylamino-2-nitrobenzoic acid (CHEBI:86569) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
5-acetamido-2-nitrobenzoic acid
Synonym  Source
2-nitro-5-acetylaminobenzoic acidChEBI
Registry NumbersSources
Reaxys:2130564Reaxys
CAS:4368-83-6ChemIDplus