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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c1-20-11-5-2-4-10(8-11)13-12(14(18)19)9-17(16-13)7-3-6-15/h2,4-5,8-9H,3,7H2,1H3,(H,18,19)/p-1