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2-(2-Fluorophenyl)-4-amino-3-[ethoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
SpectraBase Compound ID A1tbSU2T4Xz
InChI InChI=1S/C22H15F4N3O3/c1-2-31-21(30)17-18(28)15(11-27)20(29-19(17)14-8-3-4-9-16(14)23)32-13-7-5-6-12(10-13)22(24,25)26/h3-10H,2H2,1H3,(H2,28,29)
InChIKey LCCDHDOPYARBQI-UHFFFAOYSA-N
Mol Weight 445.37 g/mol
Molecular Formula C22H15F4N3O3
Exact Mass 445.104954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID em1pRFGF6
Name 2-(2-Fluorophenyl)-4-amino-3-[ethoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
Alternate Name(s) Ethyl 4-amino-5-cyano-2-(2-fluorophenyl)-6-(3-(trifluoromethyl)phenoxy)nicotinate 4-Amino-5-cyano-2-(2-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxylic acid ethyl ester Ethyl 4-amino-5-cyano-2-(2-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate Ethyl 4-azanyl-5-cyano-2-(2-fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
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Formula C22H15F4N3O3
InChI InChI=1S/C22H15F4N3O3/c1-2-31-21(30)17-18(28)15(11-27)20(29-19(17)14-8-3-4-9-16(14)23)32-13-7-5-6-12(10-13)22(24,25)26/h3-10H,2H2,1H3,(H2,28,29)
InChIKey LCCDHDOPYARBQI-UHFFFAOYSA-N
Molecular Weight 445.374 g/mol
SMILES Nc1c(c(Oc2cc(C(F)(F)F)ccc2)nc(c1C(=O)OCC)-c1c(F)cccc1)C#N
SPLASH splash10-004j-2415900000-d99009277ddd85779553
Source of Spectrum Y-50-1041-5f
Wiley ID 1736734