2-[(1S,5R,6R)-3-bromanyl-5-oxidanyl-2-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-5-yl]ethanenitrile

Systemtic Name: 2-[(1S,5R,6R)-3-bromanyl-5-oxidanyl-2-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-5-yl]ethanenitrile Openeye Name: 2-[(1S,5R,6R)-3-bromo-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile CAS Name: 2-[(1S,5R,6R)-3-bromo-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile IUPAC Name: 2-[(1S,5R,6R)-3-bromo-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile Traditional Name: 2-[(1S,5R,6R)-3-bromo-5-hydroxy-2-keto-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile Formula: C8H6BrNO3 MolecularWeight: 244.04214

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)C2C(C1(CC#N)O)O2)Br

Isomeric SMILES

C1=C(C(=O)[C@@H]2[C@H]([C@]1(CC#N)O)O2)Br

InChI

InChI=1S/C8H6BrNO3/c9-4-3-8(12,1-2-10)7-6(13-7)5(4)11/h3,6-7,12H,1H2/t6-,7-,8-/m1/s1