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

Systemtic Name: 5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-4-hydroxy-5-nitro-benzylidene)-1,3-dimethyl-barbituric acid Formula: C13H10BrN3O6 MolecularWeight: 384.139

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])C(=O)N(C1=O)C

InChI

InChI=1S/C13H10BrN3O6/c1-15-11(19)7(12(20)16(2)13(15)21)3-6-4-8(14)10(18)9(5-6)17(22)23/h3-5,18H,1-2H3