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Ethyl 2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoro-2-nicotinamidopropionate
SpectraBase Compound ID KytUf9BHwFV
InChI InChI=1S/C17H14ClF4N3O3/c1-2-28-15(27)16(17(20,21)22,24-11-5-6-13(19)12(18)8-11)25-14(26)10-4-3-7-23-9-10/h3-9,24H,2H2,1H3,(H,25,26)
InChIKey XVXAHEDOXPVSKL-UHFFFAOYSA-N
Mol Weight 419.76 g/mol
Molecular Formula C17H14ClF4N3O3
Exact Mass 419.065982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID qhtlCVrgmT
Name Ethyl 2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoro-2-nicotinamidopropionate
CAS Registry Number 256325-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14ClF4N3O3
InChI InChI=1S/C17H14ClF4N3O3/c1-2-28-15(27)16(17(20,21)22,24-11-5-6-13(19)12(18)8-11)25-14(26)10-4-3-7-23-9-10/h3-9,24H,2H2,1H3,(H,25,26)
InChIKey XVXAHEDOXPVSKL-UHFFFAOYSA-N
Molecular Weight 419.764 g/mol
SMILES N(C(c1cccnc1)=O)C(C(=O)OCC)(C(F)(F)F)Nc1cc(c(cc1)F)Cl
SPLASH splash10-0a4i-5911000000-475798000df2c2a4ea6b
Synonyms 2-(3-Chloro-4-fluoro-anilino)-3,3,3-trifluoro-2-nicotinamido-propionic acid ethyl ester 2-(3-Chloro-4-fluoroanilino)-3,3,3-trifluoro-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid ethyl ester Ethyl 2-(3-chloro-4-fluoro-anilino)-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate Ethyl 2-(3-chloro-4-fluoroanilino)-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate Ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propanoate
Wiley ID 1467538