[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O4/c22-14-5-3-6-15(11-14)25(10-4-9-23)20(27)13-29-21(28)17-12-19(26)24-18-8-2-1-7-16(17)18/h1-3,5-8,11-12H,4,10,13H2,(H,24,26)