ethyl 5-(phenylmethyl)-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-benzyl-1H-pyrazole-3-carboxylate CAS Name: 5-(phenylmethyl)-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-1H-pyrazole-3-carboxylate Traditional Name: 5-benzyl-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)CC2=CC=CC=C2

InChI

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