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Ethyl 2-(5-chloro-2-methoxyanilino)-3,3,3-trifluoro-2-nicotinamidopropionate
SpectraBase Compound ID AxZpRExXqTz
InChI InChI=1S/C18H17ClF3N3O4/c1-3-29-16(27)17(18(20,21)22,25-15(26)11-5-4-8-23-10-11)24-13-9-12(19)6-7-14(13)28-2/h4-10,24H,3H2,1-2H3,(H,25,26)
InChIKey ALQGNFGWYLOYOD-UHFFFAOYSA-N
Mol Weight 431.8 g/mol
Molecular Formula C18H17ClF3N3O4
Exact Mass 431.085968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ll14H3O0ahO
Name Ethyl 2-(5-chloro-2-methoxyanilino)-3,3,3-trifluoro-2-nicotinamidopropionate
CAS Registry Number 256325-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClF3N3O4
InChI InChI=1S/C18H17ClF3N3O4/c1-3-29-16(27)17(18(20,21)22,25-15(26)11-5-4-8-23-10-11)24-13-9-12(19)6-7-14(13)28-2/h4-10,24H,3H2,1-2H3,(H,25,26)
InChIKey ALQGNFGWYLOYOD-UHFFFAOYSA-N
Molecular Weight 431.799 g/mol
SMILES N(C(c1cccnc1)=O)C(C(F)(F)F)(C(=O)OCC)Nc1c(ccc(c1)Cl)OC
SPLASH splash10-0a4i-6901000000-c5ab0afa76ca4086bc96
Synonyms 2-(5-Chloro-2-methoxy-anilino)-3,3,3-trifluoro-2-nicotinamido-propionic acid ethyl ester 2-(5-Chloro-2-methoxyanilino)-3,3,3-trifluoro-2-[[oxo(3-pyridinyl)methyl]amino]propanoic acid ethyl ester Ethyl 2-(5-chloro-2-methoxy-anilino)-3,3,3-trifluoro-2-(pyridine-3-carbonylamino)propanoate Ethyl 2-(5-chloro-2-methoxyanilino)-3,3,3-trifluoro-2-[(3-pyridinylcarbonyl)amino]propanoate Ethyl 2-[(5-chloranyl-2-methoxy-phenyl)amino]-3,3,3-tris(fluoranyl)-2-(pyridin-3-ylcarbonylamino)propanoate
Wiley ID 1467532