2-[(4-cyanophenyl)amino]-2-[3-ethoxy-4-(trifluoromethylsulfonyloxy)phenyl]ethanoate

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[3-ethoxy-4-(trifluoromethylsulfonyloxy)phenyl]ethanoate Openeye Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(trifluoromethylsulfonyloxy)phenyl]acetate CAS Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(trifluoromethylsulfonyloxy)phenyl]acetate IUPAC Name: 2-(4-cyanoanilino)-2-[3-ethoxy-4-(trifluoromethylsulfonyloxy)phenyl]acetate Traditional Name: 2-(4-cyanoanilino)-2-(3-ethoxy-4-triflyloxy-phenyl)acetate Formula: C18H14F3N2O6S- MolecularWeight: 443.37377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C#N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O6S/c1-2-28-15-9-12(5-8-14(15)29-30(26,27)18(19,20)21)16(17(24)25)23-13-6-3-11(10-22)4-7-13/h3-9,16,23H,2H2,1H3,(H,24,25)/p-1