2-[bis(fluoranyl)methyl]-4-[(E)-but-1-enyl]-5-methoxycarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-4-[(E)-but-1-enyl]-5-methoxycarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 4-[(E)-but-1-enyl]-2-(difluoromethyl)-5-methoxycarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 4-[(E)-but-1-enyl]-2-(difluoromethyl)-5-methoxycarbonyl-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 4-[(E)-but-1-enyl]-2-(difluoromethyl)-5-methoxycarbonyl-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 4-[(E)-but-1-enyl]-5-carbomethoxy-2-(difluoromethyl)-6-(trifluoromethyl)nicotinic acid Formula: C14H12F5NO4 MolecularWeight: 353.241396

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(C(=NC(=C1C(=O)OC)C(F)(F)F)C(F)F)C(=O)O

Isomeric SMILES

CC/C=C/C1=C(C(=NC(=C1C(=O)OC)C(F)(F)F)C(F)F)C(=O)O

InChI

InChI=1S/C14H12F5NO4/c1-3-4-5-6-7(12(21)22)9(11(15)16)20-10(14(17,18)19)8(6)13(23)24-2/h4-5,11H,3H2,1-2H3,(H,21,22)/b5-4+