(phenylmethyl) 8-chloranyl-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate

Systemtic Name: (phenylmethyl) 8-chloranyl-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: benzyl 8-chloro-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: 8-chloro-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 8-chloro-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: 8-chloro-8-cyano-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid benzyl ester Formula: C16H15ClN2O2 MolecularWeight: 302.7555

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C(C1(C#N)Cl)C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1C2CN(C(C1(C#N)Cl)C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H15ClN2O2/c17-16(11-18)8-13-6-7-14(16)19(9-13)15(20)21-10-12-4-2-1-3-5-12/h1-7,13-14H,8-10H2