4-[(5S,8R)-4-oxidanylidene-7-oxa-1-azabicyclo[3.2.1]octan-8-yl]benzenecarbonitrile

Systemtic Name: 4-[(5S,8R)-4-oxidanylidene-7-oxa-1-azabicyclo[3.2.1]octan-8-yl]benzenecarbonitrile Openeye Name: 4-[(5S,8R)-4-oxo-7-oxa-1-azabicyclo[3.2.1]octan-8-yl]benzonitrile CAS Name: 4-[(5S,8R)-4-oxo-7-oxa-1-azabicyclo[3.2.1]octan-8-yl]benzonitrile IUPAC Name: 4-[(5S,8R)-4-oxo-7-oxa-1-azabicyclo[3.2.1]octan-8-yl]benzonitrile Traditional Name: 4-[(5S,8R)-4-keto-7-oxa-1-azabicyclo[3.2.1]octan-8-yl]benzonitrile Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(C(C1=O)CO2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN2[C@H]([C@H](C1=O)CO2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C13H12N2O2/c14-7-9-1-3-10(4-2-9)13-11-8-17-15(13)6-5-12(11)16/h1-4,11,13H,5-6,8H2/t11-,13-/m0/s1