ethyl 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid ethyl ester Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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