tert-butyl (2S)-2-cyano-2-[5-(trifluoromethyl)pyridin-2-yl]ethanoate

Systemtic Name: tert-butyl (2S)-2-cyano-2-[5-(trifluoromethyl)pyridin-2-yl]ethanoate Openeye Name: tert-butyl (2S)-2-cyano-2-[5-(trifluoromethyl)-2-pyridyl]acetate CAS Name: (2S)-2-cyano-2-[5-(trifluoromethyl)-2-pyridinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-cyano-2-[5-(trifluoromethyl)pyridin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[5-(trifluoromethyl)-2-pyridyl]acetic acid tert-butyl ester Formula: C13H13F3N2O2 MolecularWeight: 286.24973

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)C1=NC=C(C=C1)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](C#N)C1=NC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O2/c1-12(2,3)20-11(19)9(6-17)10-5-4-8(7-18-10)13(14,15)16/h4-5,7,9H,1-3H3/t9-/m1/s1