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

Systemtic Name: 5-[(3-bromanyl-5-nitro-4-oxidanyl-phenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylene]-1-(3,5-dimethylphenyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(3-bromo-4-hydroxy-5-nitro-benzylidene)-1-(3,5-dimethylphenyl)barbituric acid Formula: C19H14BrN3O6 MolecularWeight: 460.23496

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O6/c1-9-3-10(2)5-12(4-9)22-18(26)13(17(25)21-19(22)27)6-11-7-14(20)16(24)15(8-11)23(28)29/h3-8,24H,1-2H3,(H,21,25,27)