3-[4-chloranyl-2-(phenylcarbonyl)phenyl]propanenitrile

Systemtic Name: 3-[4-chloranyl-2-(phenylcarbonyl)phenyl]propanenitrile Openeye Name: 3-(2-benzoyl-4-chloro-phenyl)propanenitrile CAS Name: 3-(2-benzoyl-4-chlorophenyl)propanenitrile IUPAC Name: 3-(2-benzoyl-4-chlorophenyl)propanenitrile Traditional Name: 3-(2-benzoyl-4-chloro-phenyl)propionitrile Formula: C16H12ClNO MolecularWeight: 269.72558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)CCC#N

InChI

InChI=1S/C16H12ClNO/c17-14-9-8-12(7-4-10-18)15(11-14)16(19)13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7H2