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

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ChEBI Name 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester ChEBI ID CHEBI:113110 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H16N2O6 Net Charge 0 Average Mass 380.352 Monoisotopic Mass 380.10084 InChI InChI=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) InChIKey JJEUNASOOJLQCS-UHFFFAOYSA-N SMILES C1COC2=C(O1)C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Xref Database LSM-24520 LINCS View more database links