1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: 1-(2-cyanoethyl)-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)-4-pyrazolecarboxylate IUPAC Name: 1-(2-cyanoethyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(p-tolyl)pyrazole-4-carboxylate Formula: C14H12N3O2- MolecularWeight: 254.26398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)[O-])CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)[O-])CCC#N

InChI

InChI=1S/C14H13N3O2/c1-10-3-5-11(6-4-10)13-12(14(18)19)9-17(16-13)8-2-7-15/h3-6,9H,2,8H2,1H3,(H,18,19)/p-1