2-[bis(fluoranyl)methyl]-5-ethoxycarbonyl-4-[(E)-2-(furan-2-yl)ethenyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-5-ethoxycarbonyl-4-[(E)-2-(furan-2-yl)ethenyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-(difluoromethyl)-5-ethoxycarbonyl-4-[(E)-2-(2-furyl)vinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-(difluoromethyl)-5-ethoxycarbonyl-4-[(E)-2-(2-furanyl)ethenyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(difluoromethyl)-5-ethoxycarbonyl-4-[(E)-2-(furan-2-yl)ethenyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-2-(difluoromethyl)-4-[(E)-2-(2-furyl)vinyl]-6-(trifluoromethyl)nicotinic acid Formula: C17H12F5NO5 MolecularWeight: 405.272896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C=CC2=CC=CO2)C(=O)O)C(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1/C=C/C2=CC=CO2)C(=O)O)C(F)F)C(F)(F)F

InChI

InChI=1S/C17H12F5NO5/c1-2-27-16(26)11-9(6-5-8-4-3-7-28-8)10(15(24)25)12(14(18)19)23-13(11)17(20,21)22/h3-7,14H,2H2,1H3,(H,24,25)/b6-5+