[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C25H16ClN3O3 MolecularWeight: 441.86584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3Cl)C(=O)OCC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H16ClN3O3/c26-21-10-3-1-9-19(21)23-13-20(18-8-2-4-11-22(18)29-23)25(31)32-15-24(30)28-17-7-5-6-16(12-17)14-27/h1-13H,15H2,(H,28,30)