[(7S)-7-cyano-7-bicyclo[4.2.0]octa-1,3,5-trienyl] benzoate

Systemtic Name: [(7S)-7-cyano-7-bicyclo[4.2.0]octa-1,3,5-trienyl] benzoate Openeye Name: [(7S)-7-cyano-7-bicyclo[4.2.0]octa-1,3,5-trienyl] benzoate CAS Name: benzoic acid [(7S)-7-cyano-7-bicyclo[4.2.0]octa-1,3,5-trienyl] ester IUPAC Name: [(7S)-7-cyano-7-bicyclo[4.2.0]octa-1,3,5-trienyl] benzoate Traditional Name: benzoic acid [(7S)-7-cyano-7-bicyclo[4.2.0]octa-1,3,5-trienyl] ester Formula: C16H11NO2 MolecularWeight: 249.26404

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C1(C#N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C2=CC=CC=C2[C@@]1(C#N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H11NO2/c17-11-16(10-13-8-4-5-9-14(13)16)19-15(18)12-6-2-1-3-7-12/h1-9H,10H2/t16-/m1/s1