ethyl 3-cyano-1-(2-methylpentan-2-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-cyano-1-(2-methylpentan-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 3-cyano-1-(1,1-dimethylbutyl)pyrazole-4-carboxylate CAS Name: 3-cyano-1-(2-methylpentan-2-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-1-(2-methylpentan-2-yl)pyrazole-4-carboxylate Traditional Name: 3-cyano-1-(1,1-dimethylbutyl)pyrazole-4-carboxylic acid ethyl ester Formula: C13H19N3O2 MolecularWeight: 249.30886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-5-7-13(3,4)16-9-10(11(8-14)15-16)12(17)18-6-2/h9H,5-7H2,1-4H3