[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O3/c22-16-6-3-7-17(13-16)25(12-4-11-23)20(26)14-28-21(27)19-10-9-15-5-1-2-8-18(15)24-19/h1-3,5-10,13H,4,12,14H2