(4-bromanyl-2-fluoranyl-phenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxylic acid (4-bromo-2-fluorophenyl) ester IUPAC Name: (4-bromo-2-fluorophenyl) (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxylic acid (4-bromo-2-fluoro-phenyl) ester Formula: C19H15BrFNO5 MolecularWeight: 436.228503

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)OC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C[C@H](CC3=O)C(=O)OC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C19H15BrFNO5/c20-12-1-3-15(14(21)8-12)27-19(24)11-7-18(23)22(10-11)13-2-4-16-17(9-13)26-6-5-25-16/h1-4,8-9,11H,5-7,10H2/t11-/m0/s1