(2S)-2-[4-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate

Systemtic Name: (2S)-2-[4-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]butanoate Openeye Name: (2S)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoate CAS Name: (2S)-2-[4-chloro-3-(trifluoromethyl)-1-pyrazolyl]butanoate IUPAC Name: (2S)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butanoate Traditional Name: (2S)-2-[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]butyrate Formula: C8H7ClF3N2O2- MolecularWeight: 255.60159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8ClF3N2O2/c1-2-5(7(15)16)14-3-4(9)6(13-14)8(10,11)12/h3,5H,2H2,1H3,(H,15,16)/p-1/t5-/m0/s1