2-[[2-methyl-5-oxidanylidene-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate

Systemtic Name: 2-[[2-methyl-5-oxidanylidene-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate Openeye Name: 2-[[2-methyl-5-oxo-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate CAS Name: 2-[[2-methyl-5-oxo-2-(trifluoromethyl)-3-pyrrolidinyl]methoxy]benzoate IUPAC Name: 2-[[2-methyl-5-oxo-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate Traditional Name: 2-[[5-keto-2-methyl-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate Formula: C14H13F3NO4- MolecularWeight: 316.25253

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)N1)COC2=CC=CC=C2C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1(C(CC(=O)N1)COC2=CC=CC=C2C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H14F3NO4/c1-13(14(15,16)17)8(6-11(19)18-13)7-22-10-5-3-2-4-9(10)12(20)21/h2-5,8H,6-7H2,1H3,(H,18,19)(H,20,21)/p-1