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Ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate
SpectraBase Compound ID 5TvlO8G5QP6
InChI InChI=1S/C17H15ClF3N3O3/c1-2-27-15(26)16(17(19,20)21,23-13-7-5-12(18)6-8-13)24-14(25)11-4-3-9-22-10-11/h3-10,23H,2H2,1H3,(H,24,25)
InChIKey LAJXPDYRQBTCJZ-UHFFFAOYSA-N
Mol Weight 401.77 g/mol
Molecular Formula C17H15ClF3N3O3
Exact Mass 401.075404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kl2VNtsCQNl
Name Ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate
Alternate Name(s) 2-(4-Chloroanilino)-3,3,3-trifluoro-2-nicotinamido-propionic acid ethyl ester 2-(4-Chloroanilino)-3,3,3-trifluoro-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid ethyl ester Ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate Ethyl 2-(4-chloroanilino)-3,3,3-trifluoro-2-nicotinamidopropionate Ethyl 2-[(4-chlorophenyl)amino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propanoate
CAS Registry Number 256325-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15ClF3N3O3
InChI InChI=1S/C17H15ClF3N3O3/c1-2-27-15(26)16(17(19,20)21,23-13-7-5-12(18)6-8-13)24-14(25)11-4-3-9-22-10-11/h3-10,23H,2H2,1H3,(H,24,25)
InChIKey LAJXPDYRQBTCJZ-UHFFFAOYSA-N
Molecular Weight 401.773 g/mol
SMILES N(C(c1cccnc1)=O)C(C(=O)OCC)(C(F)(F)F)Nc1ccc(cc1)Cl
SPLASH splash10-0a4i-6911000000-e466bc33ebb43bdd36cc
Wiley ID 1467530