tert-butyl (2R,3R)-2-(4-bromophenyl)-3-fluoranyl-4-oxidanylidene-2H-chromene-3-carboxylate

Systemtic Name: tert-butyl (2R,3R)-2-(4-bromophenyl)-3-fluoranyl-4-oxidanylidene-2H-chromene-3-carboxylate Openeye Name: tert-butyl (2R,3R)-2-(4-bromophenyl)-3-fluoro-4-oxo-chromane-3-carboxylate CAS Name: (2R,3R)-2-(4-bromophenyl)-3-fluoro-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3R)-2-(4-bromophenyl)-3-fluoro-4-oxo-2H-chromene-3-carboxylate Traditional Name: (2R,3R)-2-(4-bromophenyl)-3-fluoro-4-keto-chroman-3-carboxylic acid tert-butyl ester Formula: C20H18BrFO4 MolecularWeight: 421.256923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)[C@]1([C@H](OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C20H18BrFO4/c1-19(2,3)26-18(24)20(22)16(23)14-6-4-5-7-15(14)25-17(20)12-8-10-13(21)11-9-12/h4-11,17H,1-3H3/t17-,20+/m1/s1