5-[(4-butoxy-3-ethoxy-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(4-butoxy-3-ethoxy-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-butoxy-3-ethoxy-phenyl)methylene]-1-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-butoxy-3-ethoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-butoxy-3-ethoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-butoxy-3-ethoxy-benzylidene)-1-(3-nitrophenyl)barbituric acid Formula: C23H23N3O7 MolecularWeight: 453.44462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C23H23N3O7/c1-3-5-11-33-19-10-9-15(13-20(19)32-4-2)12-18-21(27)24-23(29)25(22(18)28)16-7-6-8-17(14-16)26(30)31/h6-10,12-14H,3-5,11H2,1-2H3,(H,24,27,29)