[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate CAS Name: 3-phenyl-2,1-benzoxazole-5-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate Traditional Name: 3-phenylanthranil-5-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H15N3O4 MolecularWeight: 349.3401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C19H15N3O4/c20-9-4-10-21-17(23)12-25-19(24)14-7-8-16-15(11-14)18(26-22-16)13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,12H2,(H,21,23)