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

Systemtic Name: 1-(4-nitrophenyl)-2-(3-phenylimidazol-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-(3-phenylimidazol-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-(3-phenyl-1-imidazol-1-iumyl)ethanone bromide IUPAC Name: 1-(4-nitrophenyl)-2-(3-phenylimidazol-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-nitrophenyl)-2-(3-phenylimidazol-1-ium-1-yl)ethanone bromide Formula: C17H14BrN3O3 MolecularWeight: 388.21536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C[N+](=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C[N+](=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H14N3O3.BrH/c21-17(14-6-8-16(9-7-14)20(22)23)12-18-10-11-19(13-18)15-4-2-1-3-5-15;/h1-11,13H,12H2;1H/q+1;/p-1