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CHEBI:34457 - 5-Nitro-2-(3-phenylpropylamino)benzoic acid

Default Structure
ChEBI IDCHEBI:34457
ChEBI Name5-Nitro-2-(3-phenylpropylamino)benzoic acid
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC16H16N2O4
Net Charge0
Average Mass300.314
Monoisotopic Mass300.11101
SMILESO=C(O)c1cc(N(=O)=O)ccc1NCCCc1ccccc1
InChIInChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)
InChIKeyWBSMIPAMAXNXFS-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-Nitro-2-(3-phenylpropylamino)benzoic acid (CHEBI:34457) is a nitrobenzoic acid (CHEBI:25553)
Synonyms  Source
5-Nitro-2-(3-phenylpropylamino)benzoic acidKEGG COMPOUND
NPPBKEGG COMPOUND
Manual XrefsDatabases
C13705KEGG COMPOUND
LSM-24963LINCS
Registry NumbersSources
CAS:107254-86-4KEGG COMPOUND