2-[bis(fluoranyl)methyl]-4-(2-methylpropyl)-5-[(E)-3-oxidanylprop-2-enoyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 2-[bis(fluoranyl)methyl]-4-(2-methylpropyl)-5-[(E)-3-oxidanylprop-2-enoyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 2-(difluoromethyl)-5-[(E)-3-hydroxyprop-2-enoyl]-4-isobutyl-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 2-(difluoromethyl)-5-[(E)-3-hydroxy-1-oxoprop-2-enyl]-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(difluoromethyl)-5-[(E)-3-hydroxyprop-2-enoyl]-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 2-(difluoromethyl)-5-[(E)-3-hydroxyacryloyl]-4-isobutyl-6-(trifluoromethyl)nicotinic acid Formula: C15H14F5NO4 MolecularWeight: 367.267976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1C(=O)O)C(F)F)C(F)(F)F)C(=O)C=CO

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1C(=O)O)C(F)F)C(F)(F)F)C(=O)/C=C/O

InChI

InChI=1S/C15H14F5NO4/c1-6(2)5-7-9(8(23)3-4-22)12(15(18,19)20)21-11(13(16)17)10(7)14(24)25/h3-4,6,13,22H,5H2,1-2H3,(H,24,25)/b4-3+