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

Systemtic Name: 5-[(5-methoxy-3-nitro-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-hydroxy-5-methoxy-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-hydroxy-5-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-hydroxy-5-methoxy-3-nitro-benzylidene)barbituric acid Formula: C12H9N3O7 MolecularWeight: 307.21576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O7/c1-22-6-2-5(9(16)8(4-6)15(20)21)3-7-10(17)13-12(19)14-11(7)18/h2-4,16H,1H3,(H2,13,14,17,18,19)