2-(3-chloranyl-2-oxidanylidene-propyl)-2-(3-methylphenyl)hexanenitrile

Systemtic Name: 2-(3-chloranyl-2-oxidanylidene-propyl)-2-(3-methylphenyl)hexanenitrile Openeye Name: 2-(3-chloro-2-oxo-propyl)-2-(m-tolyl)hexanenitrile CAS Name: 2-(3-chloro-2-oxopropyl)-2-(3-methylphenyl)hexanenitrile IUPAC Name: 2-(3-chloro-2-oxopropyl)-2-(3-methylphenyl)hexanenitrile Traditional Name: 2-(3-chloro-2-keto-propyl)-2-(m-tolyl)hexanenitrile Formula: C16H20ClNO MolecularWeight: 277.7891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)CCl)(C#N)C1=CC=CC(=C1)C

Isomeric SMILES

CCCCC(CC(=O)CCl)(C#N)C1=CC=CC(=C1)C

InChI

InChI=1S/C16H20ClNO/c1-3-4-8-16(12-18,10-15(19)11-17)14-7-5-6-13(2)9-14/h5-7,9H,3-4,8,10-11H2,1-2H3