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

Systemtic Name: 1-(4-nitrophenyl)-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-nitrophenyl)-5-[(4-octoxyphenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-nitrophenyl)-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-nitrophenyl)-5-[(4-octoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-nitrophenyl)-5-(4-octoxybenzylidene)barbituric acid Formula: C25H27N3O6 MolecularWeight: 465.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O6/c1-2-3-4-5-6-7-16-34-21-14-8-18(9-15-21)17-22-23(29)26-25(31)27(24(22)30)19-10-12-20(13-11-19)28(32)33/h8-15,17H,2-7,16H2,1H3,(H,26,29,31)