methyl 3-tert-butyl-5-cyano-benzoate

Systemtic Name: methyl 3-tert-butyl-5-cyano-benzoate Openeye Name: methyl 3-tert-butyl-5-cyano-benzoate CAS Name: 3-tert-butyl-5-cyanobenzoic acid methyl ester IUPAC Name: methyl 3-tert-butyl-5-cyanobenzoate Traditional Name: 3-tert-butyl-5-cyano-benzoic acid methyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-13(2,3)11-6-9(8-14)5-10(7-11)12(15)16-4/h5-7H,1-4H3