methyl (1S,4S)-5-chloranyl-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-carboxylate

Systemtic Name: methyl (1S,4S)-5-chloranyl-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-carboxylate Openeye Name: methyl (1S,4S)-5-chloro-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-carboxylate CAS Name: (1S,4S)-5-chloro-5-cyano-4-methyl-3-bicyclo[2.2.2]oct-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4S)-5-chloro-5-cyano-4-methylbicyclo[2.2.2]oct-2-ene-3-carboxylate Traditional Name: (1S,4S)-5-chloro-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-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=C2C(=O)OC

Isomeric SMILES

C[C@@]12CC[C@@H](CC1(C#N)Cl)C=C2C(=O)OC

InChI

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