5-(4-chlorophenyl)-2-ethanoyl-hex-5-enenitrile

Systemtic Name: 5-(4-chlorophenyl)-2-ethanoyl-hex-5-enenitrile Openeye Name: 2-acetyl-5-(4-chlorophenyl)hex-5-enenitrile CAS Name: 2-acetyl-5-(4-chlorophenyl)-5-hexenenitrile IUPAC Name: 2-acetyl-5-(4-chlorophenyl)hex-5-enenitrile Traditional Name: 2-acetyl-5-(4-chlorophenyl)hex-5-enenitrile Formula: C14H14ClNO MolecularWeight: 247.72006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO/c1-10(3-4-13(9-16)11(2)17)12-5-7-14(15)8-6-12/h5-8,13H,1,3-4H2,2H3