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

Systemtic Name: 5-[(5-chloranyl-2-hexoxy-phenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(5-chloro-2-hexoxy-phenyl)methylene]-1-(3-nitrophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(5-chloro-2-hexoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(5-chloro-2-hexoxyphenyl)methylidene]-1-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(5-chloro-2-hexoxy-benzylidene)-1-(3-nitrophenyl)barbituric acid Formula: C23H22ClN3O6 MolecularWeight: 471.89028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O6/c1-2-3-4-5-11-33-20-10-9-16(24)12-15(20)13-19-21(28)25-23(30)26(22(19)29)17-7-6-8-18(14-17)27(31)32/h6-10,12-14H,2-5,11H2,1H3,(H,25,28,30)