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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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