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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O3/c21-12-11-14-5-8-16(9-6-14)22-19(24)13-26-20(25)18-10-7-15-3-1-2-4-17(15)23-18/h1-10H,11,13H2,(H,22,24)