[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H19N3O4/c1-22(2)21(28)24-16-9-5-6-10-18(16)25(22)19(26)13-29-20(27)17-12-11-14-7-3-4-8-15(14)23-17/h3-12H,13H2,1-2H3,(H,24,28)