EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111467 - 4-methylbenzoic acid [[amino-(4-bromophenyl)methylidene]amino] ester

ChEBI IDCHEBI:111467
ChEBI Name4-methylbenzoic acid [[amino-(4-bromophenyl)methylidene]amino] ester
Stars
DownloadsMolfile
FormulaC15H13BrN2O2
Net Charge0
Average Mass333.185
Monoisotopic Mass332.01604
SMILESCc1ccc(C(=O)ON=C(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H13BrN2O2/c1-10-2-4-12(5-3-10)15(19)20-18-14(17)11-6-8-13(16)9-7-11/h2-9H,1H3,(H2,17,18)
InChIKeyUISPMHKDFGTWKI-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-methylbenzoic acid [[amino-(4-bromophenyl)methylidene]amino] ester (CHEBI:111467) is a benzoic acids (CHEBI:22723)
Manual XrefsDatabases
LSM-22923LINCS