methyl (1S,4R,7R)-4-bromanyl-6-chloranyl-1-methyl-3-oxidanylidene-2-oxa-5-azabicyclo[2.2.2]oct-5-ene-7-carboxylate

Systemtic Name: methyl (1S,4R,7R)-4-bromanyl-6-chloranyl-1-methyl-3-oxidanylidene-2-oxa-5-azabicyclo[2.2.2]oct-5-ene-7-carboxylate Openeye Name: methyl (1S,4R,7R)-4-bromo-6-chloro-1-methyl-3-oxo-2-oxa-5-azabicyclo[2.2.2]oct-5-ene-7-carboxylate CAS Name: (1S,4R,7R)-4-bromo-6-chloro-1-methyl-3-oxo-2-oxa-5-azabicyclo[2.2.2]oct-5-ene-7-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R,7R)-4-bromo-6-chloro-1-methyl-3-oxo-2-oxa-5-azabicyclo[2.2.2]oct-5-ene-7-carboxylate Traditional Name: (1S,4R,7R)-4-bromo-6-chloro-3-keto-1-methyl-2-oxa-5-azabicyclo[2.2.2]oct-5-ene-7-carboxylic acid methyl ester Formula: C9H9BrClNO4 MolecularWeight: 310.52906

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(CC(C(=O)O1)(N=C2Cl)Br)C(=O)OC

Isomeric SMILES

C[C@@]12[C@@H](C[C@@](C(=O)O1)(N=C2Cl)Br)C(=O)OC

InChI

InChI=1S/C9H9BrClNO4/c1-8-4(5(13)15-2)3-9(10,7(14)16-8)12-6(8)11/h4H,3H2,1-2H3/t4-,8-,9-/m0/s1