methyl 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: methyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid methyl ester Formula: C12H12N2O2 MolecularWeight: 216.23588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CN(N=C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2/c1-16-12(15)11-7-13-14(9-11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3