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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-[(3-methoxy-5-nitro-2-oxidanyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-[(2-hydroxy-3-methoxy-5-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromo-3-methylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-(2-hydroxy-3-methoxy-5-nitro-benzylidene)barbituric acid Formula: C19H14BrN3O7 MolecularWeight: 476.23436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)OC)[N+](=O)[O-])C(=O)NC2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C(=CC3=CC(=CC(=C3O)OC)[N+](=O)[O-])C(=O)NC2=O)Br

InChI

InChI=1S/C19H14BrN3O7/c1-9-5-11(3-4-14(9)20)22-18(26)13(17(25)21-19(22)27)7-10-6-12(23(28)29)8-15(30-2)16(10)24/h3-8,24H,1-2H3,(H,21,25,27)