[1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H19ClN2O6 MolecularWeight: 430.83836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)C3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H19ClN2O6/c1-12(20(26)24-11-18(25)23-15-5-2-3-6-16(15)24)30-21(27)13-9-14(22)19-17(10-13)28-7-4-8-29-19/h2-3,5-6,9-10,12H,4,7-8,11H2,1H3,(H,23,25)