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

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-4-pyrazolecarboxylate IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxylate Formula: C15H14N3O2- MolecularWeight: 268.29056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O2/c1-10-4-5-12(8-11(10)2)14-13(15(19)20)9-18(17-14)7-3-6-16/h4-5,8-9H,3,7H2,1-2H3,(H,19,20)/p-1