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

Systemtic Name: 2-[4-(2-methylphenyl)pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-[4-(o-tolyl)pyrimidin-1-ium-1-yl]ethanone CAS Name: 2-[4-(2-methylphenyl)-1-pyrimidin-1-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[4-(2-methylphenyl)pyrimidin-1-ium-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-[4-(o-tolyl)pyrimidin-1-ium-1-yl]ethanone Formula: C19H16N3O3+ MolecularWeight: 334.34864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NC=[N+](C=C2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N3O3/c1-14-4-2-3-5-17(14)18-10-11-21(13-20-18)12-19(23)15-6-8-16(9-7-15)22(24)25/h2-11,13H,12H2,1H3/q+1