ethyl 5-cyano-1-(2-methylbutan-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-cyano-1-(2-methylbutan-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-cyano-1-(1,1-dimethylpropyl)pyrazole-4-carboxylate CAS Name: 5-cyano-1-(2-methylbutan-2-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-(2-methylbutan-2-yl)pyrazole-4-carboxylate Traditional Name: 1-tert-amyl-5-cyano-pyrazole-4-carboxylic acid ethyl ester Formula: C12H17N3O2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=C(C=N1)C(=O)OCC)C#N

Isomeric SMILES

CCC(C)(C)N1C(=C(C=N1)C(=O)OCC)C#N

InChI

InChI=1S/C12H17N3O2/c1-5-12(3,4)15-10(7-13)9(8-14-15)11(16)17-6-2/h8H,5-6H2,1-4H3