ethyl 5-cyano-1-(3-methylhexan-3-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-cyano-1-(3-methylhexan-3-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-cyano-1-(1-ethyl-1-methyl-butyl)pyrazole-4-carboxylate CAS Name: 5-cyano-1-(3-methylhexan-3-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-(3-methylhexan-3-yl)pyrazole-4-carboxylate Traditional Name: 5-cyano-1-(1-ethyl-1-methyl-butyl)pyrazole-4-carboxylic acid ethyl ester Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2/c1-5-8-14(4,6-2)17-12(9-15)11(10-16-17)13(18)19-7-3/h10H,5-8H2,1-4H3