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

Systemtic Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)-4-pyrazolecarboxylate IUPAC Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate Formula: C14H12N3O3- MolecularWeight: 270.26338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)[O-])CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)[O-])CCC#N

InChI

InChI=1S/C14H13N3O3/c1-20-11-5-3-10(4-6-11)13-12(14(18)19)9-17(16-13)8-2-7-15/h3-6,9H,2,8H2,1H3,(H,18,19)/p-1