2-(3-ethanoylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-(3-ethanoylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C15H13BrN2O4 MolecularWeight: 365.17872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N2O4.BrH/c1-11(18)13-5-3-7-16(9-13)10-15(19)12-4-2-6-14(8-12)17(20)21;/h2-9H,10H2,1H3;1H/q+1;/p-1