2-(5-chloranyl-2-methoxy-phenyl)-5-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-5-methyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-5-methyl-3-oxo-hexanenitrile CAS Name: 2-(5-chloro-2-methoxyphenyl)-5-methyl-3-oxohexanenitrile IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-5-methyl-3-oxohexanenitrile Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-3-keto-5-methyl-hexanenitrile Formula: C14H16ClNO2 MolecularWeight: 265.73534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClNO2/c1-9(2)6-13(17)12(8-16)11-7-10(15)4-5-14(11)18-3/h4-5,7,9,12H,6H2,1-3H3