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Ethyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate
SpectraBase Compound ID 2m5dpm9wpHZ
InChI InChI=1S/C17H15ClF3N3O3/c1-2-27-15(26)16(17(19,20)21,23-13-7-3-6-12(18)9-13)24-14(25)11-5-4-8-22-10-11/h3-10,23H,2H2,1H3,(H,24,25)
InChIKey JAIMCKOJJYZFAX-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 3LPaZZVkrc6
Name Ethyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate
CAS Registry Number 256325-74-3
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)21,23-13-7-3-6-12(18)9-13)24-14(25)11-5-4-8-22-10-11/h3-10,23H,2H2,1H3,(H,24,25)
InChIKey JAIMCKOJJYZFAX-UHFFFAOYSA-N
Molecular Weight 401.773 g/mol
SMILES N(C(c1cccnc1)=O)C(C(=O)OCC)(C(F)(F)F)Nc1cc(ccc1)Cl
SPLASH splash10-0a6r-6901000000-9c4c0116b9a839f4330a
Synonyms 2-(3-Chloroanilino)-3,3,3-trifluoro-2-nicotinamido-propionic acid ethyl ester 2-(3-Chloroanilino)-3,3,3-trifluoro-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid ethyl ester Ethyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate Ethyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-nicotinamidopropionate Ethyl 2-[(3-chlorophenyl)amino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propanoate
Wiley ID 1467531