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

Systemtic Name: ethyl 3-cyano-1-(2,4,4-trimethylpentan-2-yl)pyrazole-4-carboxylate Openeye Name: ethyl 3-cyano-1-(1,1,3,3-tetramethylbutyl)pyrazole-4-carboxylate CAS Name: 3-cyano-1-(2,4,4-trimethylpentan-2-yl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-1-(2,4,4-trimethylpentan-2-yl)pyrazole-4-carboxylate Traditional Name: 3-cyano-1-(1,1,3,3-tetramethylbutyl)pyrazole-4-carboxylic acid ethyl ester Formula: C15H23N3O2 MolecularWeight: 277.36202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C#N)C(C)(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C#N)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C15H23N3O2/c1-7-20-13(19)11-9-18(17-12(11)8-16)15(5,6)10-14(2,3)4/h9H,7,10H2,1-6H3