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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C13H11N3O7/c1-22-9-4-6(8(16(20)21)5-10(9)23-2)3-7-11(17)14-13(19)15-12(7)18/h3-5H,1-2H3,(H2,14,15,17,18,19)