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

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3,4-dimethylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3,4-dimethylphenyl)-5-(2-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(=CC(=C3O)OC)[N+](=O)[O-])C(=O)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)OC)[N+](=O)[O-])C(=O)NC2=O)C

InChI

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