ethyl (1S,4R,5S,6S)-5-bromanyl-6-oxidanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: ethyl (1S,4R,5S,6S)-5-bromanyl-6-oxidanyl-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: ethyl (1S,4R,5S,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: (1S,4R,5S,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,4R,5S,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: (1S,4R,5S,6S)-5-bromo-6-hydroxy-3-azabicyclo[2.1.1]hexane-3-carboxylic acid ethyl ester Formula: C8H12BrNO3 MolecularWeight: 250.08978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC2C(C1C2Br)O

Isomeric SMILES

CCOC(=O)N1C[C@H]2[C@@H]([C@@H]1[C@H]2Br)O

InChI

InChI=1S/C8H12BrNO3/c1-2-13-8(12)10-3-4-5(9)6(10)7(4)11/h4-7,11H,2-3H2,1H3/t4-,5+,6+,7+/m1/s1