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2-(4-Nitrophenyl)-4-amino-3-[methoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
SpectraBase Compound ID DXRFV2wCnC9
InChI InChI=1S/C21H13F3N4O5/c1-32-20(29)16-17(26)15(10-25)19(33-14-4-2-3-12(9-14)21(22,23)24)27-18(16)11-5-7-13(8-6-11)28(30)31/h2-9H,1H3,(H2,26,27)
InChIKey RKVRRNORFSXWNX-UHFFFAOYSA-N
Mol Weight 458.35 g/mol
Molecular Formula C21H13F3N4O5
Exact Mass 458.083804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkAGi3eR0uG
Name 2-(4-Nitrophenyl)-4-amino-3-[methoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
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Formula C21H13F3N4O5
InChI InChI=1S/C21H13F3N4O5/c1-32-20(29)16-17(26)15(10-25)19(33-14-4-2-3-12(9-14)21(22,23)24)27-18(16)11-5-7-13(8-6-11)28(30)31/h2-9H,1H3,(H2,26,27)
InChIKey RKVRRNORFSXWNX-UHFFFAOYSA-N
Molecular Weight 458.353 g/mol
SMILES Nc1c(c(Oc2cc(C(F)(F)F)ccc2)nc(c1C(=O)OC)-c1ccc(N(=O)=O)cc1)C#N
SPLASH splash10-0a4i-1450900000-4ae725050730e2c1f739
Source of Spectrum Y-50-1041-5l
Synonyms Methyl 4-amino-5-cyano-2-(4-nitrophenyl)-6-(3-(trifluoromethyl)phenoxy)nicotinate
Wiley ID 1736731