(4-propanoylphenyl) 3-cyanobenzoate

Systemtic Name: (4-propanoylphenyl) 3-cyanobenzoate Openeye Name: (4-propanoylphenyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (4-propionylphenyl) ester Formula: C17H13NO3 MolecularWeight: 279.29002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H13NO3/c1-2-16(19)13-6-8-15(9-7-13)21-17(20)14-5-3-4-12(10-14)11-18/h3-10H,2H2,1H3