2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(4-methyl-1-pyrimidin-1-iumyl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(4-methylpyrimidin-1-ium-1-yl)-1-(4-nitrophenyl)ethanone Formula: C13H12N3O3+ MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N3O3/c1-10-6-7-15(9-14-10)8-13(17)11-2-4-12(5-3-11)16(18)19/h2-7,9H,8H2,1H3/q+1