(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoate

Systemtic Name: (2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoate Openeye Name: (2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoate CAS Name: (2S)-2-[3-(trifluoromethyl)-1-pyrazolyl]butanoate IUPAC Name: (2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoate Traditional Name: (2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]butyrate Formula: C8H8F3N2O2- MolecularWeight: 221.15653

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C=CC(=N1)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C=CC(=N1)C(F)(F)F

InChI

InChI=1S/C8H9F3N2O2/c1-2-5(7(14)15)13-4-3-6(12-13)8(9,10)11/h3-5H,2H2,1H3,(H,14,15)/p-1/t5-/m0/s1