[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H13N3O3/c20-11-13-5-8-15(9-6-13)21-18(23)12-25-19(24)17-10-7-14-3-1-2-4-16(14)22-17/h1-10H,12H2,(H,21,23)