tert-butyl 2-[1-oxidanyl-3-oxidanylidene-1-(trifluoromethyl)isoindol-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[1-oxidanyl-3-oxidanylidene-1-(trifluoromethyl)isoindol-2-yl]ethanoate Openeye Name: tert-butyl 2-[1-hydroxy-3-oxo-1-(trifluoromethyl)isoindolin-2-yl]acetate CAS Name: 2-[1-hydroxy-3-oxo-1-(trifluoromethyl)-2-isoindolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-hydroxy-3-oxo-1-(trifluoromethyl)isoindol-2-yl]acetate Traditional Name: 2-[1-hydroxy-3-keto-1-(trifluoromethyl)isoindolin-2-yl]acetic acid tert-butyl ester Formula: C15H16F3NO4 MolecularWeight: 331.28705

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)C2=CC=CC=C2C1(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C2=CC=CC=C2C1(C(F)(F)F)O

InChI

InChI=1S/C15H16F3NO4/c1-13(2,3)23-11(20)8-19-12(21)9-6-4-5-7-10(9)14(19,22)15(16,17)18/h4-7,22H,8H2,1-3H3