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

Systemtic Name: 1,3-dimethyl-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-hydroxy-5-nitro-phenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-hydroxy-5-nitro-benzylidene)-1,3-dimethyl-barbituric acid Formula: C13H11N3O6 MolecularWeight: 305.24294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)N(C1=O)C

InChI

InChI=1S/C13H11N3O6/c1-14-11(18)9(12(19)15(2)13(14)20)6-7-5-8(16(21)22)3-4-10(7)17/h3-6,17H,1-2H3