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CHEBI:116808 - 4-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:116808
ChEBI Name4-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
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DownloadsMolfile
FormulaC16H14N4O3
Net Charge0
Average Mass310.313
Monoisotopic Mass310.10659
SMILESCOC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C16H14N4O3/c1-23-16(22)11-6-8-12(9-7-11)17-15(21)10-20-14-5-3-2-4-13(14)18-19-20/h2-9H,10H2,1H3,(H,17,21)
InChIKeyVVVHNZQEZTWYFA-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-(1-benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:116808) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-28260LINCS