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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)barbituric acid Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)NC2=O)C

InChI

InChI=1S/C20H17N3O7/c1-10-4-5-13(6-11(10)2)22-19(26)14(18(25)21-20(22)27)7-12-8-15(23(28)29)17(24)16(9-12)30-3/h4-9,24H,1-3H3,(H,21,25,27)