tert-butyl 4-cyanobenzoate

Systemtic Name: tert-butyl 4-cyanobenzoate Openeye Name: tert-butyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid tert-butyl ester Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H13NO2/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7H,1-3H3