1-(3-nitrophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(3-nitrophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3-nitrophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3-nitrophenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(3-nitrophenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide Formula: C20H16BrN3O5 MolecularWeight: 458.26214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C20H16N3O5.BrH/c24-20(17-2-1-3-19(13-17)23(27)28)14-21-10-8-16(9-11-21)12-15-4-6-18(7-5-15)22(25)26;/h1-11,13H,12,14H2;1H/q+1;/p-1