(phenylmethyl) (1S,6R,7R)-7-cyano-5-oxidanylidene-bicyclo[4.1.0]heptane-7-carboxylate

Systemtic Name: (phenylmethyl) (1S,6R,7R)-7-cyano-5-oxidanylidene-bicyclo[4.1.0]heptane-7-carboxylate Openeye Name: benzyl (1R,6S,7R)-7-cyano-2-oxo-norcarane-7-carboxylate CAS Name: (1S,6R,7R)-7-cyano-5-oxo-7-bicyclo[4.1.0]heptanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (1S,6R,7R)-7-cyano-5-oxobicyclo[4.1.0]heptane-7-carboxylate Traditional Name: (1R,6S,7R)-7-cyano-2-keto-norcarane-7-carboxylic acid benzyl ester Formula: C16H15NO3 MolecularWeight: 269.2952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C2(C#N)C(=O)OCC3=CC=CC=C3)C(=O)C1

Isomeric SMILES

C1C[C@H]2[C@H]([C@]2(C#N)C(=O)OCC3=CC=CC=C3)C(=O)C1

InChI

InChI=1S/C16H15NO3/c17-10-16(12-7-4-8-13(18)14(12)16)15(19)20-9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-9H2/t12-,14-,16+/m0/s1