methyl (1R,4R)-2-chloranyl-2-cyano-4-methyl-bicyclo[2.2.2]oct-5-ene-5-carboxylate

Systemtic Name: methyl (1R,4R)-2-chloranyl-2-cyano-4-methyl-bicyclo[2.2.2]oct-5-ene-5-carboxylate Openeye Name: methyl (1R,4R)-2-chloro-2-cyano-4-methyl-bicyclo[2.2.2]oct-5-ene-5-carboxylate CAS Name: (1R,4R)-2-chloro-2-cyano-4-methyl-5-bicyclo[2.2.2]oct-5-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,4R)-2-chloro-2-cyano-4-methylbicyclo[2.2.2]oct-5-ene-5-carboxylate Traditional Name: (1R,4R)-2-chloro-2-cyano-4-methyl-bicyclo[2.2.2]oct-5-ene-5-carboxylic acid methyl ester Formula: C12H14ClNO2 MolecularWeight: 239.69806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C=C1C(=O)OC)C(C2)(C#N)Cl

Isomeric SMILES

C[C@]12CC[C@H](C=C1C(=O)OC)C(C2)(C#N)Cl

InChI

InChI=1S/C12H14ClNO2/c1-11-4-3-8(12(13,6-11)7-14)5-9(11)10(15)16-2/h5,8H,3-4,6H2,1-2H3/t8-,11-,12?/m1/s1