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2-[[3-carbethoxy-6-(trifluoromethoxy)-4-quinolyl]amino]benzoic acid
SpectraBase Compound ID LImm3vCZNd0
InChI InChI=1S/C20H15F3N2O5/c1-2-29-19(28)14-10-24-15-8-7-11(30-20(21,22)23)9-13(15)17(14)25-16-6-4-3-5-12(16)18(26)27/h3-10H,2H2,1H3,(H,24,25)(H,26,27)
InChIKey FWJMVZAVAUGMDX-UHFFFAOYSA-N
Mol Weight 420.34 g/mol
Molecular Formula C20H15F3N2O5
Exact Mass 420.093306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3Gwg52YBhZ
Name 2-[[3-carbethoxy-6-(trifluoromethoxy)-4-quinolyl]amino]benzoic acid
Alternate Name(s) 2-[[3-ethoxycarbonyl-6-(trifluoromethoxy)-4-quinolyl]amino]benzoic acid 2-[[3-ethoxycarbonyl-6-(trifluoromethoxy)quinolin-4-yl]amino]benzoic acid 2-[[3-ethoxycarbonyl-6-(trifluoromethyloxy)quinolin-4-yl]amino]benzoic acid
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Formula C20H15F3N2O5
InChI InChI=1S/C20H15F3N2O5/c1-2-29-19(28)14-10-24-15-8-7-11(30-20(21,22)23)9-13(15)17(14)25-16-6-4-3-5-12(16)18(26)27/h3-10H,2H2,1H3,(H,24,25)(H,26,27)
InChIKey FWJMVZAVAUGMDX-UHFFFAOYSA-N
Molecular Weight 420.344 g/mol
SMILES N(c1c(C(=O)OCC)cnc2c1cc(OC(F)(F)F)cc2)c1c(C(=O)O)cccc1
SPLASH splash10-001i-9444000000-209fee911375a706d17a
Wiley ID 1457952