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

Systemtic Name: 5-[(4-methyl-3-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-methyl-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-methyl-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-methyl-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-methyl-3-nitro-benzylidene)barbituric acid Formula: C12H9N3O5 MolecularWeight: 275.21696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O5/c1-6-2-3-7(5-9(6)15(19)20)4-8-10(16)13-12(18)14-11(8)17/h2-5H,1H3,(H2,13,14,16,17,18)