[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C23H17N3O4/c24-10-5-11-26-13-18(16-7-2-4-9-20(16)26)21(27)14-30-23(29)17-12-22(28)25-19-8-3-1-6-15(17)19/h1-4,6-9,12-13H,5,11,14H2,(H,25,28)