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

Systemtic Name: 5-[(4-hexoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-hexoxyphenyl)methylene]-1-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(4-hexoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(4-hexoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(4-hexoxybenzylidene)-1-(3-nitrophenyl)barbituric acid Formula: C23H23N3O6 MolecularWeight: 437.44522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O6/c1-2-3-4-5-13-32-19-11-9-16(10-12-19)14-20-21(27)24-23(29)25(22(20)28)17-7-6-8-18(15-17)26(30)31/h6-12,14-15H,2-5,13H2,1H3,(H,24,27,29)