methyl 6-[bis(fluoranyl)methyl]-5-(diethoxyphosphorylcarbonylamino)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: methyl 6-[bis(fluoranyl)methyl]-5-(diethoxyphosphorylcarbonylamino)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 5-(diethoxyphosphorylcarbonylamino)-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-[[diethoxyphosphoryl(oxo)methyl]amino]-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethoxyphosphorylcarbonylamino)-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-(diethoxyphosphorylcarbonylamino)-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)nicotinic acid methyl ester Formula: C16H20F5N2O6P MolecularWeight: 462.305577

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1NC(=O)P(=O)(OCC)OCC)C(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1=C(C(=NC(=C1NC(=O)P(=O)(OCC)OCC)C(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H20F5N2O6P/c1-5-8-9(14(24)27-4)12(16(19,20)21)22-11(13(17)18)10(8)23-15(25)30(26,28-6-2)29-7-3/h13H,5-7H2,1-4H3,(H,23,25)