5-ethyl-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-ethyl-5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-1-phenyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-ethyl-5-(4-nitro-1,3-dioxo-isoindolin-2-yl)-1-phenyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-ethyl-5-(4-nitro-1,3-dioxo-2-isoindolyl)-1-phenyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-ethyl-5-(4-nitro-1,3-dioxoisoindol-2-yl)-1-phenyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)-5-ethyl-1-phenyl-barbituric acid Formula: C20H14N4O7 MolecularWeight: 422.34776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O7/c1-2-20(17(27)21-19(29)22(18(20)28)11-7-4-3-5-8-11)23-15(25)12-9-6-10-13(24(30)31)14(12)16(23)26/h3-10H,2H2,1H3,(H,21,27,29)