3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate

Systemtic Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate Openeye Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-pyrazolyl)methyl]benzoate IUPAC Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoate Formula: C13H13N2O2- MolecularWeight: 229.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)[O-])C

InChI

InChI=1S/C13H14N2O2/c1-9-6-10(2)15(14-9)8-11-4-3-5-12(7-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)/p-1