2-[1-(4-chlorophenyl)-3-oxidanylidene-butyl]propanedinitrile

Systemtic Name: 2-[1-(4-chlorophenyl)-3-oxidanylidene-butyl]propanedinitrile Openeye Name: 2-[1-(4-chlorophenyl)-3-oxo-butyl]propanedinitrile CAS Name: 2-[1-(4-chlorophenyl)-3-oxobutyl]propanedinitrile IUPAC Name: 2-[1-(4-chlorophenyl)-3-oxobutyl]propanedinitrile Traditional Name: 2-[1-(4-chlorophenyl)-3-keto-butyl]malononitrile Formula: C13H11ClN2O MolecularWeight: 246.69224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O/c1-9(17)6-13(11(7-15)8-16)10-2-4-12(14)5-3-10/h2-5,11,13H,6H2,1H3