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CHEBI:113110 - 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester

ChEBI IDCHEBI:113110
ChEBI Name4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester
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DownloadsMolfile
FormulaC20H16N2O6
Net Charge0
Average Mass380.356
Monoisotopic Mass380.10084
SMILESN#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H16N2O6/c21-8-7-19(24)22-15-4-1-13(2-5-15)20(25)28-12-16(23)14-3-6-17-18(11-14)27-10-9-26-17/h1-6,11H,7,9-10,12H2,(H,22,24)
InChIKeyJJEUNASOOJLQCS-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-cyano-1-oxoethyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester (CHEBI:113110) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-24520LINCS