1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxidanylidene-1H-isoindol-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxo-isoindolin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[2-[(4-nitrophenyl)methyl]-3-oxo-1H-isoindol-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[3-keto-2-(4-nitrobenzyl)isoindolin-1-yl]-1,3-dimethyl-barbituric acid Formula: C21H18N4O6 MolecularWeight: 422.39082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)N(C1=O)C)C2C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(C(=O)N(C1=O)C)C2C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6/c1-22-19(27)16(20(28)23(2)21(22)29)17-14-5-3-4-6-15(14)18(26)24(17)11-12-7-9-13(10-8-12)25(30)31/h3-10,16-17H,11H2,1-2H3