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

Systemtic Name: 1-methyl-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-hydroxy-3-nitro-phenyl)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-hydroxy-3-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-hydroxy-3-nitro-benzylidene)-1-methyl-barbituric acid Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC1=O

InChI

InChI=1S/C12H9N3O6/c1-14-11(18)7(10(17)13-12(14)19)4-6-2-3-9(16)8(5-6)15(20)21/h2-5,16H,1H3,(H,13,17,19)