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2-(2-Chlorophenyl)-4-amino-3-[methoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
SpectraBase Compound ID JatEQzuluzZ
InChI InChI=1S/C21H13ClF3N3O3/c1-30-20(29)16-17(27)14(10-26)19(28-18(16)13-7-2-3-8-15(13)22)31-12-6-4-5-11(9-12)21(23,24)25/h2-9H,1H3,(H2,27,28)
InChIKey BONPAXOZUBSHNI-UHFFFAOYSA-N
Mol Weight 447.8 g/mol
Molecular Formula C21H13ClF3N3O3
Exact Mass 447.059753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3Y3tFwYnRP
Name 2-(2-Chlorophenyl)-4-amino-3-[methoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
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Formula C21H13ClF3N3O3
InChI InChI=1S/C21H13ClF3N3O3/c1-30-20(29)16-17(27)14(10-26)19(28-18(16)13-7-2-3-8-15(13)22)31-12-6-4-5-11(9-12)21(23,24)25/h2-9H,1H3,(H2,27,28)
InChIKey BONPAXOZUBSHNI-UHFFFAOYSA-N
Molecular Weight 447.801 g/mol
SMILES Nc1c(c(Oc2cc(C(F)(F)F)ccc2)nc(c1C(=O)OC)-c1c(Cl)cccc1)C#N
SPLASH splash10-00di-0100900000-0df147ad8f5fac8ca429
Source of Spectrum Y-50-1041-5g
Synonyms Methyl 4-amino-2-(2-chlorophenyl)-5-cyano-6-(3-(trifluoromethyl)phenoxy)nicotinate 4-Amino-2-(2-chlorophenyl)-5-cyano-6-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxylic acid methyl ester Methyl 4-amino-2-(2-chlorophenyl)-5-cyano-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate Methyl 4-azanyl-2-(2-chlorophenyl)-5-cyano-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
Wiley ID 1736733