2-(3-bromanylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate

Systemtic Name: 2-(3-bromanylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Openeye Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate CAS Name: 2-(3-bromo-1-pyridin-1-iumyl)-1-(3-nitrophenyl)ethanone bromide hydrate IUPAC Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Traditional Name: 2-(3-bromopyridin-1-ium-1-yl)-1-(3-nitrophenyl)ethanone bromide hydrate Formula: C13H12Br2N2O4 MolecularWeight: 420.05338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN2O3.BrH.H2O/c14-11-4-2-6-15(8-11)9-13(17)10-3-1-5-12(7-10)16(18)19;;/h1-8H,9H2;1H;1H2/q+1;;/p-1