[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NOC=C2)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)NC2=NOC=C2)NC(=O)CC#N

InChI

InChI=1S/C15H12N4O5/c16-7-5-13(20)17-11-3-1-10(2-4-11)15(22)23-9-14(21)18-12-6-8-24-19-12/h1-4,6,8H,5,9H2,(H,17,20)(H,18,19,21)