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

Systemtic Name: 1-(4-chlorophenyl)-5-[(3-iodanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-chlorophenyl)-5-[(4-hydroxy-3-iodo-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-chlorophenyl)-5-(4-hydroxy-3-iodo-5-nitro-benzylidene)barbituric acid Formula: C17H9ClIN3O6 MolecularWeight: 513.62733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)I)O)[N+](=O)[O-])C(=O)NC2=O)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C(=CC3=CC(=C(C(=C3)I)O)[N+](=O)[O-])C(=O)NC2=O)Cl

InChI

InChI=1S/C17H9ClIN3O6/c18-9-1-3-10(4-2-9)21-16(25)11(15(24)20-17(21)26)5-8-6-12(19)14(23)13(7-8)22(27)28/h1-7,23H,(H,20,24,26)