ethyl 4-[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenoxy]-2,6-bis(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-[4-(1-ethoxy-1-oxidanylidene-propan-2-yl)oxyphenoxy]-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 4-[4-(2-ethoxy-1-methyl-2-oxo-ethoxy)phenoxy]-2,6-bis(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-[4-(2-ethoxy-2-keto-1-methyl-ethoxy)phenoxy]-2,6-bis(trifluoromethyl)nicotinic acid ethyl ester Formula: C21H19F6NO6 MolecularWeight: 495.369079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1OC2=CC=C(C=C2)OC(C)C(=O)OCC)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1OC2=CC=C(C=C2)OC(C)C(=O)OCC)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H19F6NO6/c1-4-31-18(29)11(3)33-12-6-8-13(9-7-12)34-14-10-15(20(22,23)24)28-17(21(25,26)27)16(14)19(30)32-5-2/h6-11H,4-5H2,1-3H3