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

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

Systemtic Name:(2S)-2-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]butanoate
Openeye Name:(2S)-2-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]butanoate
CAS Name:(2S)-2-[4-nitro-3-(trifluoromethyl)-1-pyrazolyl]butanoate
IUPAC Name:(2S)-2-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]butanoate
Traditional Name:(2S)-2-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]butyrate
Formula: C8H7F3N3O4-
MolecularWeight: 266.15409
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H8F3N3O4/c1-2-4(7(15)16)13-3-5(14(17)18)6(12-13)8(9,10)11/h3-4H,2H2,1H3,(H,15,16)/p-1/t4-/m0/s1


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