1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylate

Systemtic Name: 1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylate Openeye Name: 1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-5-methyl-4-pyrazolecarboxylate IUPAC Name: 1-(2-cyanoethyl)-5-methylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-5-methyl-pyrazole-4-carboxylate Formula: C8H8N3O2- MolecularWeight: 178.16802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC#N)C(=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CCC#N)C(=O)[O-]

InChI

InChI=1S/C8H9N3O2/c1-6-7(8(12)13)5-10-11(6)4-2-3-9/h5H,2,4H2,1H3,(H,12,13)/p-1