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

Systemtic Name: 5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-1-(4-chlorophenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-4-hydroxy-5-nitro-benzylidene)-1-(4-chlorophenyl)barbituric acid Formula: C17H9BrClN3O6 MolecularWeight: 466.62686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H9BrClN3O6/c18-12-6-8(7-13(14(12)23)22(27)28)5-11-15(24)20-17(26)21(16(11)25)10-3-1-9(19)2-4-10/h1-7,23H,(H,20,24,26)