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

Systemtic Name: 1-(4-nitrophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C13H11BrN2O4 MolecularWeight: 339.14144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O4.BrH/c16-12-2-1-7-14(8-12)9-13(17)10-3-5-11(6-4-10)15(18)19;/h1-8H,9H2;1H