methyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Openeye Name: methyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylic acid methyl ester Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC)CCC#N)C

InChI

InChI=1S/C16H17N3O2/c1-11-5-6-13(9-12(11)2)15-14(16(20)21-3)10-19(18-15)8-4-7-17/h5-6,9-10H,4,8H2,1-3H3