cyanomethyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: cyanomethyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: cyanomethyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid cyanomethyl ester Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC#N

Isomeric SMILES

C1=CN(N=C1)CC2=CC=C(C=C2)C(=O)OCC#N

InChI

InChI=1S/C13H11N3O2/c14-6-9-18-13(17)12-4-2-11(3-5-12)10-16-8-1-7-15-16/h1-5,7-8H,9-10H2