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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1(C#N)Cl)C(=C2)C(=O)OC

Isomeric SMILES

C[C@]12CC[C@H](CC1(C#N)Cl)C(=C2)C(=O)OC

InChI

InChI=1S/C12H14ClNO2/c1-11-4-3-8(5-12(11,13)7-14)9(6-11)10(15)16-2/h6,8H,3-5H2,1-2H3/t8-,11-,12?/m1/s1