(1S,4R,8S)-4-bromanyl-8-butoxy-6-chloranyl-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: (1S,4R,8S)-4-bromanyl-8-butoxy-6-chloranyl-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Openeye Name: (1S,4R,8S)-4-bromo-8-butoxy-6-chloro-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one CAS Name: (1S,4R,8S)-4-bromo-8-butoxy-6-chloro-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one IUPAC Name: (1S,4R,8S)-4-bromo-8-butoxy-6-chloro-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Traditional Name: (1S,4R,8S)-4-bromo-8-butoxy-6-chloro-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Formula: C11H15BrClNO3 MolecularWeight: 324.5987

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CC2(C(=NC1(C(=O)O2)Br)Cl)C

Isomeric SMILES

CCCCO[C@H]1C[C@]2(C(=N[C@@]1(C(=O)O2)Br)Cl)C

InChI

InChI=1S/C11H15BrClNO3/c1-3-4-5-16-7-6-10(2)8(13)14-11(7,12)9(15)17-10/h7H,3-6H2,1-2H3/t7-,10-,11-/m0/s1