[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-pyridin-3-ylquinoline-4-carboxylate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-(3-pyridyl)quinoline-4-carboxylate CAS Name: 2-(3-pyridinyl)-4-quinolinecarboxylic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-pyridin-3-ylquinoline-4-carboxylate Traditional Name: 2-(3-pyridyl)cinchoninic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C24H15ClN4O3 MolecularWeight: 442.8539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H15ClN4O3/c25-17-8-7-15(12-26)21(10-17)29-23(30)14-32-24(31)19-11-22(16-4-3-9-27-13-16)28-20-6-2-1-5-18(19)20/h1-11,13H,14H2,(H,29,30)