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

Systemtic Name: 5-[(3-ethoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]-1-(4-ethoxyphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-ethoxy-4-hydroxy-5-nitro-benzylidene)-1-p-phenetyl-barbituric acid Formula: C21H19N3O8 MolecularWeight: 441.39086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OCC)O)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OCC)O)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C21H19N3O8/c1-3-31-14-7-5-13(6-8-14)23-20(27)15(19(26)22-21(23)28)9-12-10-16(24(29)30)18(25)17(11-12)32-4-2/h5-11,25H,3-4H2,1-2H3,(H,22,26,28)