[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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