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

Systemtic Name: 5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-hydroxy-3-methoxy-5-nitro-benzylidene)-1-methyl-barbituric acid Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=CC(=C2O)OC)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=CC(=C2O)OC)[N+](=O)[O-])C(=O)NC1=O

InChI

InChI=1S/C13H11N3O7/c1-15-12(19)8(11(18)14-13(15)20)4-6-3-7(16(21)22)5-9(23-2)10(6)17/h3-5,17H,1-2H3,(H,14,18,20)