(1Z)-1-[(4-chlorophenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate

Systemtic Name: (1Z)-1-[(4-chlorophenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate Openeye Name: (1Z)-1-[(4-chlorophenyl)methylene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate CAS Name: (1Z)-1-[(4-chlorophenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate IUPAC Name: (1Z)-1-[(4-chlorophenyl)methylidene]-5,5-dimethyl-4H-pyrazol-1-ium-3-olate Traditional Name: (1Z)-1-(4-chlorobenzylidene)-5,5-dimethyl-2-pyrazolin-1-ium-3-olate Formula: C12H13ClN2O MolecularWeight: 236.69742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=N[N+]1=CC2=CC=C(C=C2)Cl)[O-])C

Isomeric SMILES

CC\1(CC(=N/[N+]1=C\C2=CC=C(C=C2)Cl)[O-])C

InChI

InChI=1S/C12H13ClN2O/c1-12(2)7-11(16)14-15(12)8-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3/b15-8-