2-(5-chloranyl-2-methoxy-phenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-3-oxidanylidene-pentanenitrile Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-3-oxo-pentanenitrile CAS Name: 2-(5-chloro-2-methoxyphenyl)-3-oxopentanenitrile IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-3-oxopentanenitrile Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-3-keto-valeronitrile Formula: C12H12ClNO2 MolecularWeight: 237.68218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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