(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H16ClN3O3/c1-13(25)17(11-24)21(27)12-29-22(28)16-10-20(15-7-2-4-8-18(15)23)26-19-9-5-3-6-14(16)19/h2-10,17,25H,12H2,1H3