2-[4-(4-chloranylbutanoyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(4-chloranylbutanoyl)phenyl]ethanenitrile Openeye Name: 2-[4-(4-chlorobutanoyl)phenyl]acetonitrile CAS Name: 2-[4-(4-chloro-1-oxobutyl)phenyl]acetonitrile IUPAC Name: 2-[4-(4-chlorobutanoyl)phenyl]acetonitrile Traditional Name: 2-[4-(4-chlorobutanoyl)phenyl]acetonitrile Formula: C12H12ClNO MolecularWeight: 221.68278

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)C(=O)CCCCl

Isomeric SMILES

C1=CC(=CC=C1CC#N)C(=O)CCCCl

InChI

InChI=1S/C12H12ClNO/c13-8-1-2-12(15)11-5-3-10(4-6-11)7-9-14/h3-6H,1-2,7-8H2