4-oxidanyl-4-(phenylcarbonyl)heptanedinitrile

Systemtic Name: 4-oxidanyl-4-(phenylcarbonyl)heptanedinitrile Openeye Name: 4-benzoyl-4-hydroxy-heptanedinitrile CAS Name: 4-benzoyl-4-hydroxyheptanedinitrile IUPAC Name: 4-benzoyl-4-hydroxyheptanedinitrile Traditional Name: 4-benzoyl-4-hydroxy-pimelonitrile Formula: C14H14N2O2 MolecularWeight: 242.27316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O2/c15-10-4-8-14(18,9-5-11-16)13(17)12-6-2-1-3-7-12/h1-3,6-7,18H,4-5,8-9H2