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

Systemtic Name: 1-(4-bromanyl-2-methyl-phenyl)-5-[[(5-nitro-2-oxidanyl-phenyl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(4-bromo-2-methyl-phenyl)-5-[(2-hydroxy-5-nitro-anilino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-bromo-2-methylphenyl)-5-[(2-hydroxy-5-nitroanilino)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(4-bromo-2-methylphenyl)-5-[(2-hydroxy-5-nitroanilino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(4-bromo-2-methyl-phenyl)-5-[(2-hydroxy-5-nitro-anilino)methylene]barbituric acid Formula: C18H13BrN4O6 MolecularWeight: 461.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)NC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CNC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)NC2=O

InChI

InChI=1S/C18H13BrN4O6/c1-9-6-10(19)2-4-14(9)22-17(26)12(16(25)21-18(22)27)8-20-13-7-11(23(28)29)3-5-15(13)24/h2-8,20,24H,1H3,(H,21,25,27)