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

Systemtic Name: 5-[(3-bromanyl-5-nitro-2-oxidanyl-phenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-2-hydroxy-5-nitro-phenyl)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-2-hydroxy-5-nitro-benzylidene)-1-methyl-barbituric acid Formula: C12H8BrN3O6 MolecularWeight: 370.11242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=CC(=C2O)Br)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=CC(=C2O)Br)[N+](=O)[O-])C(=O)NC1=O

InChI

InChI=1S/C12H8BrN3O6/c1-15-11(19)7(10(18)14-12(15)20)3-5-2-6(16(21)22)4-8(13)9(5)17/h2-4,17H,1H3,(H,14,18,20)