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

Systemtic Name: 2-[[5-oxidanylidene-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate Openeye Name: 2-[[5-oxo-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate CAS Name: 2-[[5-oxo-2-(trifluoromethyl)-3-pyrrolidinyl]methoxy]benzoate IUPAC Name: 2-[[5-oxo-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate Traditional Name: 2-[[5-keto-2-(trifluoromethyl)pyrrolidin-3-yl]methoxy]benzoate Formula: C13H11F3NO4- MolecularWeight: 302.22595

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(NC1=O)C(F)(F)F)COC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1C(C(NC1=O)C(F)(F)F)COC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H12F3NO4/c14-13(15,16)11-7(5-10(18)17-11)6-21-9-4-2-1-3-8(9)12(19)20/h1-4,7,11H,5-6H2,(H,17,18)(H,19,20)/p-1