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

Systemtic Name: 5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-1-(m-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-4-hydroxy-5-nitro-benzylidene)-1-(m-tolyl)barbituric acid Formula: C18H12BrN3O6 MolecularWeight: 446.20838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Br)O)[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C18H12BrN3O6/c1-9-3-2-4-11(5-9)21-17(25)12(16(24)20-18(21)26)6-10-7-13(19)15(23)14(8-10)22(27)28/h2-8,23H,1H3,(H,20,24,26)