tert-butyl (2S)-2-(3-bromanyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(3-bromanyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(3-bromoisoxazol-5-yl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-(3-bromo-5-isoxazolyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(3-bromo-1,2-oxazol-5-yl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(3-bromoisoxazol-5-yl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C12H17BrN2O3 MolecularWeight: 317.17898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=CC(=NO2)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C2=CC(=NO2)Br

InChI

InChI=1S/C12H17BrN2O3/c1-12(2,3)17-11(16)15-6-4-5-8(15)9-7-10(13)14-18-9/h7-8H,4-6H2,1-3H3/t8-/m0/s1