methyl 4-[(E)-2-[3-(dicyanomethylidene)-5,5-dimethyl-cyclohexen-1-yl]ethenyl]benzoate

Systemtic Name: methyl 4-[(E)-2-[3-(dicyanomethylidene)-5,5-dimethyl-cyclohexen-1-yl]ethenyl]benzoate Openeye Name: methyl 4-[(E)-2-[3-(dicyanomethylene)-5,5-dimethyl-cyclohexen-1-yl]vinyl]benzoate CAS Name: 4-[(E)-2-[3-(dicyanomethylidene)-5,5-dimethyl-1-cyclohexenyl]ethenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-2-[3-(dicyanomethylidene)-5,5-dimethylcyclohexen-1-yl]ethenyl]benzoate Traditional Name: 4-[(E)-2-[3-(dicyanomethylene)-5,5-dimethyl-cyclohexen-1-yl]vinyl]benzoic acid methyl ester Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2/c1-21(2)11-16(10-18(12-21)19(13-22)14-23)5-4-15-6-8-17(9-7-15)20(24)25-3/h4-10H,11-12H2,1-3H3/b5-4+