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

Systemtic Name: 1-(3-methylphenyl)-5-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(2-hydroxy-5-nitro-anilino)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(2-hydroxy-5-nitroanilino)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(2-hydroxy-5-nitroanilino)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(2-hydroxy-5-nitro-anilino)methylene]-1-(m-tolyl)barbituric acid Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)NC2=O

InChI

InChI=1S/C18H14N4O6/c1-10-3-2-4-11(7-10)21-17(25)13(16(24)20-18(21)26)9-19-14-8-12(22(27)28)5-6-15(14)23/h2-9,19,23H,1H3,(H,20,24,26)