ethyl (1R,2R)-5,5-dicyano-2-(4-nitrophenyl)-4-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1R,2R)-5,5-dicyano-2-(4-nitrophenyl)-4-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,2R)-5,5-dicyano-2-(4-nitrophenyl)-4-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2R)-5,5-dicyano-2-(4-nitrophenyl)-4-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2R)-5,5-dicyano-2-(4-nitrophenyl)-4-phenylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,2R)-5,5-dicyano-2-(4-nitrophenyl)-4-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=CC1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)(C#N)C#N

Isomeric SMILES

CCOC(=O)[C@@H]1CC(C(=C[C@H]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)(C#N)C#N

InChI

InChI=1S/C23H19N3O4/c1-2-30-22(27)20-13-23(14-24,15-25)21(17-6-4-3-5-7-17)12-19(20)16-8-10-18(11-9-16)26(28)29/h3-12,19-20H,2,13H2,1H3/t19-,20+/m0/s1