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

Systemtic Name: 5-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-hydroxy-3,5-dinitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-hydroxy-3,5-dinitro-benzylidene)barbituric acid Formula: C11H6N4O8 MolecularWeight: 322.18734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H6N4O8/c16-8-4(1-5(14(20)21)3-7(8)15(22)23)2-6-9(17)12-11(19)13-10(6)18/h1-3,16H,(H2,12,13,17,18,19)