ethyl (1R,2R)-4-(4-bromophenyl)-5,5-dicyano-2-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1R,2R)-4-(4-bromophenyl)-5,5-dicyano-2-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,2R)-4-(4-bromophenyl)-5,5-dicyano-2-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2R)-4-(4-bromophenyl)-5,5-dicyano-2-methyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R)-4-(4-bromophenyl)-5,5-dicyano-2-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,2R)-4-(4-bromophenyl)-5,5-dicyano-2-methyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C18H17BrN2O2 MolecularWeight: 373.24378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=CC1C)C2=CC=C(C=C2)Br)(C#N)C#N

Isomeric SMILES

CCOC(=O)[C@@H]1CC(C(=C[C@H]1C)C2=CC=C(C=C2)Br)(C#N)C#N

InChI

InChI=1S/C18H17BrN2O2/c1-3-23-17(22)15-9-18(10-20,11-21)16(8-12(15)2)13-4-6-14(19)7-5-13/h4-8,12,15H,3,9H2,1-2H3/t12-,15-/m1/s1