[2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] benzoate

Systemtic Name: [2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] benzoate Openeye Name: [2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] benzoate CAS Name: benzoic acid [2-(2-cyanoethyl)-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(2-cyanoethyl)-5-methylpyrazol-3-yl] benzoate Traditional Name: benzoic acid [2-(2-cyanoethyl)-5-methyl-pyrazol-3-yl] ester Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OC(=O)C2=CC=CC=C2)CCC#N

Isomeric SMILES

CC1=NN(C(=C1)OC(=O)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3