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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C(=O)NC(=O)N(C2=O)C3=CC=CC(=C3)C

InChI

InChI=1S/C20H17N3O7/c1-3-30-16-10-12(9-15(17(16)24)23(28)29)8-14-18(25)21-20(27)22(19(14)26)13-6-4-5-11(2)7-13/h4-10,24H,3H2,1-2H3,(H,21,25,27)