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2-Phenyl-4-amino-3-[ethoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
SpectraBase Compound ID 9aaRFvbEcvq
InChI InChI=1S/C22H16F3N3O3/c1-2-30-21(29)17-18(27)16(12-26)20(28-19(17)13-7-4-3-5-8-13)31-15-10-6-9-14(11-15)22(23,24)25/h3-11H,2H2,1H3,(H2,27,28)
InChIKey ARWQQEQXLLTZTF-UHFFFAOYSA-N
Mol Weight 427.38 g/mol
Molecular Formula C22H16F3N3O3
Exact Mass 427.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUbjfiyACyL
Name 2-Phenyl-4-amino-3-[ethoxycarbonyl]-5-cyano-6-[(3-trifluoromethyl)phenoxy]-pyridine
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Formula C22H16F3N3O3
InChI InChI=1S/C22H16F3N3O3/c1-2-30-21(29)17-18(27)16(12-26)20(28-19(17)13-7-4-3-5-8-13)31-15-10-6-9-14(11-15)22(23,24)25/h3-11H,2H2,1H3,(H2,27,28)
InChIKey ARWQQEQXLLTZTF-UHFFFAOYSA-N
Molecular Weight 427.383 g/mol
SMILES Nc1c(c(Oc2cc(C(F)(F)F)ccc2)nc(c1C(=O)OCC)-c1ccccc1)C#N
SPLASH splash10-004j-2646900000-c00b29778ff1ba0c59d0
Source of Spectrum Y-50-1041-5d
Synonyms Ethyl 4-amino-5-cyano-2-phenyl-6-(3-(trifluoromethyl)phenoxy)nicotinate 4-Amino-5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxylic acid ethyl ester Ethyl 4-amino-5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate Ethyl 4-azanyl-5-cyano-2-phenyl-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
Wiley ID 1736735