(1-cyano-4-methoxy-4-oxidanylidene-butan-2-yl) benzoate

Systemtic Name: (1-cyano-4-methoxy-4-oxidanylidene-butan-2-yl) benzoate Openeye Name: [1-(cyanomethyl)-3-methoxy-3-oxo-propyl] benzoate CAS Name: benzoic acid (1-cyano-4-methoxy-4-oxobutan-2-yl) ester IUPAC Name: (1-cyano-4-methoxy-4-oxobutan-2-yl) benzoate Traditional Name: benzoic acid [1-(cyanomethyl)-3-keto-3-methoxy-propyl] ester Formula: C13H13NO4 MolecularWeight: 247.24662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-17-12(15)9-11(7-8-14)18-13(16)10-5-3-2-4-6-10/h2-6,11H,7,9H2,1H3