1-(4-bromophenyl)-5-[[(6-nitro-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromophenyl)-5-[[(6-nitro-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-[[(6-nitro-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[[(6-nitro-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-[[(6-nitro-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-[[(2-keto-6-nitro-1,3-dihydrobenzimidazol-5-yl)amino]methylene]barbituric acid Formula: C18H11BrN6O6 MolecularWeight: 487.22054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CNC3=C(C=C4C(=C3)NC(=O)N4)[N+](=O)[O-])C(=O)NC2=O)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CNC3=C(C=C4C(=C3)NC(=O)N4)[N+](=O)[O-])C(=O)NC2=O)Br

InChI

InChI=1S/C18H11BrN6O6/c19-8-1-3-9(4-2-8)24-16(27)10(15(26)23-18(24)29)7-20-13-5-11-12(22-17(28)21-11)6-14(13)25(30)31/h1-7,20H,(H2,21,22,28)(H,23,26,29)