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

Systemtic Name: 2-[bis(fluoranyl)methyl]-5-ethoxycarbonyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-(difluoromethyl)-5-ethoxycarbonyl-4-[(E)-2-(2-nitrophenyl)vinyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-(difluoromethyl)-5-ethoxycarbonyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(difluoromethyl)-5-ethoxycarbonyl-4-[(E)-2-(2-nitrophenyl)ethenyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-2-(difluoromethyl)-4-[(E)-2-(2-nitrophenyl)vinyl]-6-(trifluoromethyl)nicotinic acid Formula: C19H13F5N2O6 MolecularWeight: 460.308336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1C=CC2=CC=CC=C2[N+](=O)[O-])C(=O)O)C(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1/C=C/C2=CC=CC=C2[N+](=O)[O-])C(=O)O)C(F)F)C(F)(F)F

InChI

InChI=1S/C19H13F5N2O6/c1-2-32-18(29)13-10(8-7-9-5-3-4-6-11(9)26(30)31)12(17(27)28)14(16(20)21)25-15(13)19(22,23)24/h3-8,16H,2H2,1H3,(H,27,28)/b8-7+