[(1R)-1-cyanoethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C14H13N3O2/c1-10-7-8-16-17(10)13-5-3-12(4-6-13)14(18)19-11(2)9-15/h3-8,11H,1-2H3/t11-/m1/s1