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

Systemtic Name: 5-[(3-bromanyl-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-2-hydroxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-2-hydroxy-5-nitro-benzylidene)barbituric acid Formula: C11H6BrN3O6 MolecularWeight: 356.08584

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C11H6BrN3O6/c12-7-3-5(15(20)21)1-4(8(7)16)2-6-9(17)13-11(19)14-10(6)18/h1-3,16H,(H2,13,14,17,18,19)