2-(5-chloranyl-2-methoxy-phenyl)carbonylbutanenitrile

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)carbonylbutanenitrile Openeye Name: 2-(5-chloro-2-methoxy-benzoyl)butanenitrile CAS Name: 2-[(5-chloro-2-methoxyphenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(5-chloro-2-methoxybenzoyl)butanenitrile Traditional Name: 2-(5-chloro-2-methoxy-benzoyl)butyronitrile Formula: C12H12ClNO2 MolecularWeight: 237.68218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO2/c1-3-8(7-14)12(15)10-6-9(13)4-5-11(10)16-2/h4-6,8H,3H2,1-2H3