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

Systemtic Name: 2-[(1S,5R,6R)-5-oxidanyl-2-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-5-yl]ethanenitrile Openeye Name: 2-[(1S,5R,6R)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile CAS Name: 2-[(1S,5R,6R)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile IUPAC Name: 2-[(1S,5R,6R)-5-hydroxy-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile Traditional Name: 2-[(1S,5R,6R)-5-hydroxy-2-keto-7-oxabicyclo[4.1.0]hept-3-en-5-yl]acetonitrile Formula: C8H7NO3 MolecularWeight: 165.14608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO3/c9-4-3-8(11)2-1-5(10)6-7(8)12-6/h1-2,6-7,11H,3H2/t6-,7-,8+/m1/s1