[2-(2,6-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,4-dicyanobenzoate

Systemtic Name: [2-(2,6-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 2,4-dicyanobenzoate Openeye Name: [2-(2,6-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 2,4-dicyanobenzoate CAS Name: 2,4-dicyanobenzoic acid [2-(2,6-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,6-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 2,4-dicyanobenzoate Traditional Name: 2,4-dicyanobenzoic acid [2-(2,6-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C(CC(CC2=O)(C)C)OC(=O)C3=C(C=C(C=C3)C#N)C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C(CC(CC2=O)(C)C)OC(=O)C3=C(C=C(C=C3)C#N)C#N

InChI

InChI=1S/C25H22N2O3/c1-15-6-5-7-16(2)22(15)23-20(28)11-25(3,4)12-21(23)30-24(29)19-9-8-17(13-26)10-18(19)14-27/h5-10H,11-12H2,1-4H3