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

Systemtic Name: 1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: 1-(m-tolylmethyl)pyrazole-4-carboxylate CAS Name: 1-[(3-methylphenyl)methyl]-4-pyrazolecarboxylate IUPAC Name: 1-[(3-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(3-methylbenzyl)pyrazole-4-carboxylate Formula: C12H11N2O2- MolecularWeight: 215.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=C(C=N2)C(=O)[O-]

InChI

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