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

Systemtic Name: 1-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(3-bromophenyl)-5-[(4-methoxy-3-nitro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-(3-bromophenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(3-bromophenyl)-5-(4-methoxy-3-nitro-benzylidene)barbituric acid Formula: C18H12BrN3O6 MolecularWeight: 446.20838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

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