1,2-dimethyl-3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-2-ium chloride

Systemtic Name: 1,2-dimethyl-3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-2-ium chloride Openeye Name: 1,2-dimethyl-3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-2-ium chloride CAS Name: 1,2-dimethyl-3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-2-ium chloride IUPAC Name: 1,2-dimethyl-3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-2-ium chloride Traditional Name: 1,2-dimethyl-3-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-2-ium chloride Formula: C12H11ClF3N3O2 MolecularWeight: 321.68285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F.[Cl-]

Isomeric SMILES

CN1C(=CC(=[N+]1C)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F.[Cl-]

InChI

InChI=1S/C12H11F3N3O2.ClH/c1-16-10(7-11(17(16)2)12(13,14)15)8-3-5-9(6-4-8)18(19)20;/h3-7H,1-2H3;1H/q+1;/p-1