2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(3-methyl-1-imidazol-3-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(3-methylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C12H12BrN3O3 MolecularWeight: 326.14598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C12H12N3O3.BrH/c1-13-6-7-14(9-13)8-12(16)10-2-4-11(5-3-10)15(17)18;/h2-7,9H,8H2,1H3;1H/q+1;/p-1