1-(4-bromophenyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-(4-bromophenyl)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromophenyl)-5-[(4-hydroxy-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromophenyl)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromophenyl)-5-(4-hydroxy-3-nitro-benzylidene)barbituric acid Formula: C17H10BrN3O6 MolecularWeight: 432.1818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=O)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=O)Br

InChI

InChI=1S/C17H10BrN3O6/c18-10-2-4-11(5-3-10)20-16(24)12(15(23)19-17(20)25)7-9-1-6-14(22)13(8-9)21(26)27/h1-8,22H,(H,19,23,25)