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

Systemtic Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-(1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-ylethanone bromide Traditional Name: 1-(3-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanone bromide Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N2O3.BrH/c16-13(10-14-7-2-1-3-8-14)11-5-4-6-12(9-11)15(17)18;/h1-9H,10H2;1H/q+1;/p-1