(2-cyanophenyl)methyl 1H-pyrazole-5-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1H-pyrazole-5-carboxylate Openeye Name: (2-cyanophenyl)methyl 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid (2-cyanobenzyl) ester Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=NN2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=NN2)C#N

InChI

InChI=1S/C12H9N3O2/c13-7-9-3-1-2-4-10(9)8-17-12(16)11-5-6-14-15-11/h1-6H,8H2,(H,14,15)