[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-(trifluoromethyl)-3-pyridinecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-(trifluoromethyl)nicotinic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H13F3N2O3 MolecularWeight: 302.24913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CN=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O3/c1-7(11(19)18-9-3-4-9)21-12(20)8-2-5-10(17-6-8)13(14,15)16/h2,5-7,9H,3-4H2,1H3,(H,18,19)