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

Systemtic Name: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1-methyl-hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-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(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)NC1=O

Isomeric SMILES

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

InChI

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