2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide

Systemtic Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Openeye Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide CAS Name: 2-[4-(2-methoxyphenyl)-1-pyrimidin-1-iumyl]-1-(2-nitrophenyl)ethanone bromide IUPAC Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Traditional Name: 2-[4-(2-methoxyphenyl)pyrimidin-1-ium-1-yl]-1-(2-nitrophenyl)ethanone bromide Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3[N+](=O)[O-].[Br-]

Isomeric SMILES

COC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=CC=C3[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H16N3O4.BrH/c1-26-19-9-5-3-6-14(19)16-10-11-21(13-20-16)12-18(23)15-7-2-4-8-17(15)22(24)25;/h2-11,13H,12H2,1H3;1H/q+1;/p-1