phenyl 4-cyanooxane-4-carboxylate

Systemtic Name: phenyl 4-cyanooxane-4-carboxylate Openeye Name: phenyl 4-cyanotetrahydropyran-4-carboxylate CAS Name: 4-cyano-4-oxanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-cyanooxane-4-carboxylate Traditional Name: 4-cyanotetrahydropyran-4-carboxylic acid phenyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#N)C(=O)OC2=CC=CC=C2

Isomeric SMILES

C1COCCC1(C#N)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H13NO3/c14-10-13(6-8-16-9-7-13)12(15)17-11-4-2-1-3-5-11/h1-5H,6-9H2