[4-cyano-2-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] propanoate

Systemtic Name: [4-cyano-2-(2-methyl-1-oxidanylidene-propan-2-yl)phenyl] propanoate Openeye Name: [4-cyano-2-(1,1-dimethyl-2-oxo-ethyl)phenyl] propanoate CAS Name: propanoic acid [4-cyano-2-(2-methyl-1-oxopropan-2-yl)phenyl] ester IUPAC Name: [4-cyano-2-(2-methyl-1-oxopropan-2-yl)phenyl] propanoate Traditional Name: propionic acid [4-cyano-2-(2-keto-1,1-dimethyl-ethyl)phenyl] ester Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)C#N)C(C)(C)C=O

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)C#N)C(C)(C)C=O

InChI

InChI=1S/C14H15NO3/c1-4-13(17)18-12-6-5-10(8-15)7-11(12)14(2,3)9-16/h5-7,9H,4H2,1-3H3