[3-(2,2-dicyanoethenyl)phenyl] 4-tert-butylbenzoate

Systemtic Name: [3-(2,2-dicyanoethenyl)phenyl] 4-tert-butylbenzoate Openeye Name: [3-(2,2-dicyanovinyl)phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [3-(2,2-dicyanoethenyl)phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(2,2-dicyanovinyl)phenyl] ester Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C#N

InChI

InChI=1S/C21H18N2O2/c1-21(2,3)18-9-7-17(8-10-18)20(24)25-19-6-4-5-15(12-19)11-16(13-22)14-23/h4-12H,1-3H3