2-(5-chloranyl-2-methoxy-phenyl)-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-4-methyl-3-oxo-pentanenitrile CAS Name: 2-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopentanenitrile IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopentanenitrile Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-3-keto-4-methyl-valeronitrile Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO2/c1-8(2)13(16)11(7-15)10-6-9(14)4-5-12(10)17-3/h4-6,8,11H,1-3H3