4-(4-chlorophenyl)carbonylheptanedinitrile

Systemtic Name: 4-(4-chlorophenyl)carbonylheptanedinitrile Openeye Name: 4-(4-chlorobenzoyl)heptanedinitrile CAS Name: 4-[(4-chlorophenyl)-oxomethyl]heptanedinitrile IUPAC Name: 4-(4-chlorobenzoyl)heptanedinitrile Traditional Name: 4-(4-chlorobenzoyl)pimelonitrile Formula: C14H13ClN2O MolecularWeight: 260.71882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(CCC#N)CCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(CCC#N)CCC#N)Cl

InChI

InChI=1S/C14H13ClN2O/c15-13-7-5-12(6-8-13)14(18)11(3-1-9-16)4-2-10-17/h5-8,11H,1-4H2