EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104952 - 4-methyl-3-nitrobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethylidene]amino] ester

ChEBI IDCHEBI:104952
ChEBI Name4-methyl-3-nitrobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethylidene]amino] ester
Stars
DownloadsMolfile
FormulaC17H17N3O5
Net Charge0
Average Mass343.339
Monoisotopic Mass343.11682
SMILESCOc1ccccc1CC(N)=NOC(=O)c1ccc(C)c([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O5/c1-11-7-8-13(9-14(11)20(22)23)17(21)25-19-16(18)10-12-5-3-4-6-15(12)24-2/h3-9H,10H2,1-2H3,(H2,18,19)
InChIKeyXKNMHYBWPOWHGN-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-methyl-3-nitrobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethylidene]amino] ester (CHEBI:104952) is a nitrobenzoic acid (CHEBI:25553)
Manual XrefsDatabases
LSM-16315LINCS