ethyl 5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-(p-tolylmethyl)-1H-pyrazole-3-carboxylate CAS Name: 5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methylphenyl)methyl]-1H-pyrazole-3-carboxylate Traditional Name: 5-(4-methylbenzyl)-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C14H16N2O2 MolecularWeight: 244.28904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-12(15-16-13)8-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,15,16)