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

Systemtic Name: 5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)-1-(4-methoxyphenyl)barbituric acid Formula: C20H17N3O8 MolecularWeight: 427.36428

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O8/c1-3-31-16-10-11(9-15(17(16)24)23(28)29)8-14-18(25)21-20(27)22(19(14)26)12-4-6-13(30-2)7-5-12/h4-10,24H,3H2,1-2H3,(H,21,25,27)