EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:108270 - 4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrobenzoic acid

ChEBI IDCHEBI:108270
ChEBI Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrobenzoic acid
Stars
DownloadsMolfile
FormulaC17H18N2O6
Net Charge0
Average Mass346.339
Monoisotopic Mass346.11649
SMILESCOc1ccc(CCNc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C17H18N2O6/c1-24-15-6-3-11(9-16(15)25-2)7-8-18-13-5-4-12(17(20)21)10-14(13)19(22)23/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21)
InChIKeyKOCALSLUENBTBQ-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)
4-[2-(3,4-dimethoxyphenyl)ethylamino]-3-nitrobenzoic acid (CHEBI:108270) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-19647LINCS