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2-(2,5-dimethylpyrrol-1-yl)ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate

2-(2,5-dimethylpyrrol-1-yl)ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate

Systemtic Name:2-(2,5-dimethylpyrrol-1-yl)ethyl 4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate
Openeye Name:2-(2,5-dimethylpyrrol-1-yl)ethyl 4,4,4-trifluoro-3-oxo-butanoate
CAS Name:4,4,4-trifluoro-3-oxobutanoic acid 2-(2,5-dimethyl-1-pyrrolyl)ethyl ester
IUPAC Name:2-(2,5-dimethylpyrrol-1-yl)ethyl 4,4,4-trifluoro-3-oxobutanoate
Traditional Name:4,4,4-trifluoro-3-keto-butyric acid 2-(2,5-dimethylpyrrol-1-yl)ethyl ester
Formula: C12H14F3NO3
MolecularWeight: 277.23967
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCOC(=O)CC(=O)C(F)(F)F)C


Isomeric SMILES

CC1=CC=C(N1CCOC(=O)CC(=O)C(F)(F)F)C


InChI

InChI=1S/C12H14F3NO3/c1-8-3-4-9(2)16(8)5-6-19-11(18)7-10(17)12(13,14)15/h3-4H,5-7H2,1-2H3


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