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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)NC2=O

InChI

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