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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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