(3,3-dimethyl-2-oxidanylidene-butyl) 4-cyanobenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-cyanobenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3/c1-14(2,3)12(16)9-18-13(17)11-6-4-10(8-15)5-7-11/h4-7H,9H2,1-3H3