2-[3-(3-chlorophenyl)propanoyl]benzenecarbonitrile

Systemtic Name: 2-[3-(3-chlorophenyl)propanoyl]benzenecarbonitrile Openeye Name: 2-[3-(3-chlorophenyl)propanoyl]benzonitrile CAS Name: 2-[3-(3-chlorophenyl)-1-oxopropyl]benzonitrile IUPAC Name: 2-[3-(3-chlorophenyl)propanoyl]benzonitrile Traditional Name: 2-[3-(3-chlorophenyl)propanoyl]benzonitrile Formula: C16H12ClNO MolecularWeight: 269.72558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(=O)CCC2=CC(=CC=C2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(=O)CCC2=CC(=CC=C2)Cl

InChI

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