methyl (1S,5S)-6,6-dicyano-5-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1S,5S)-6,6-dicyano-5-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1S,5S)-6,6-dicyano-5-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,5S)-6,6-dicyano-5-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,5S)-6,6-dicyano-5-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,5S)-6,6-dicyano-5-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C16H14N2O2 MolecularWeight: 266.29456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CC(C1(C#N)C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CC=C[C@H](C1(C#N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O2/c1-20-15(19)14-9-5-8-13(16(14,10-17)11-18)12-6-3-2-4-7-12/h2-8,13-14H,9H2,1H3/t13-,14+/m0/s1