(4,5-dimethyl-1-oxidanidyl-3-phenyl-pyrazol-1-ium-3-yl) ethanoate

Systemtic Name: (4,5-dimethyl-1-oxidanidyl-3-phenyl-pyrazol-1-ium-3-yl) ethanoate Openeye Name: (4,5-dimethyl-1-oxido-3-phenyl-pyrazol-1-ium-3-yl) acetate CAS Name: acetic acid (4,5-dimethyl-1-oxido-3-phenyl-3-pyrazol-1-iumyl) ester IUPAC Name: (4,5-dimethyl-1-oxido-3-phenylpyrazol-1-ium-3-yl) acetate Traditional Name: acetic acid (4,5-dimethyl-1-oxido-3-phenyl-pyrazol-1-ium-3-yl) ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=NC1(C2=CC=CC=C2)OC(=O)C)[O-])C

Isomeric SMILES

CC1=C([N+](=NC1(C2=CC=CC=C2)OC(=O)C)[O-])C

InChI

InChI=1S/C13H14N2O3/c1-9-10(2)15(17)14-13(9,18-11(3)16)12-7-5-4-6-8-12/h4-8H,1-3H3