[(E)-1-cyanobut-2-enyl] benzoate

Systemtic Name: [(E)-1-cyanobut-2-enyl] benzoate Openeye Name: [(E)-1-cyanobut-2-enyl] benzoate CAS Name: benzoic acid [(E)-1-cyanobut-2-enyl] ester IUPAC Name: [(E)-1-cyanobut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-1-cyanobut-2-enyl] ester Formula: C12H11NO2 MolecularWeight: 201.22124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2/c1-2-6-11(9-13)15-12(14)10-7-4-3-5-8-10/h2-8,11H,1H3/b6-2+