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

Systemtic Name: 2-(4-ethanoylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(4-acetyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-(4-acetylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide Formula: C15H13BrN2O4 MolecularWeight: 365.17872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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