phenyl 3-cyanobutanoate

Systemtic Name: phenyl 3-cyanobutanoate Openeye Name: phenyl 3-cyanobutanoate CAS Name: 3-cyanobutanoic acid phenyl ester IUPAC Name: phenyl 3-cyanobutanoate Traditional Name: 3-cyanobutyric acid phenyl ester Formula: C11H11NO2 MolecularWeight: 189.21054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2/c1-9(8-12)7-11(13)14-10-5-3-2-4-6-10/h2-6,9H,7H2,1H3