tert-butyl 2-cyclopropylcarbonyl-3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[1-ethyl-3-(trifluoromethyl)-4-pyrazolyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]-3-keto-propionic acid tert-butyl ester Formula: C17H21F3N2O4 MolecularWeight: 374.35485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(F)(F)F)C(=O)C(C(=O)C2CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C=C(C(=N1)C(F)(F)F)C(=O)C(C(=O)C2CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H21F3N2O4/c1-5-22-8-10(14(21-22)17(18,19)20)13(24)11(12(23)9-6-7-9)15(25)26-16(2,3)4/h8-9,11H,5-7H2,1-4H3