2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C14H12BrN2O4+ MolecularWeight: 352.16008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H12BrN2O4/c1-21-14-5-4-10(7-12(14)17(19)20)13(18)9-16-6-2-3-11(15)8-16/h2-8H,9H2,1H3/q+1