5-ethoxycarbonyl-4-propan-2-yloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-4-propan-2-yloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-4-isopropoxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-4-propan-2-yloxy-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-ethoxycarbonyl-4-propan-2-yloxy-2,6-bis(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-4-isopropoxy-2,6-bis(trifluoromethyl)nicotinic acid Formula: C14H13F6NO5 MolecularWeight: 389.247139

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1OC(C)C)C(=O)O)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1OC(C)C)C(=O)O)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C14H13F6NO5/c1-4-25-12(24)7-8(26-5(2)3)6(11(22)23)9(13(15,16)17)21-10(7)14(18,19)20/h5H,4H2,1-3H3,(H,22,23)