2-(5-chloranyl-2-methoxy-phenyl)-6-methyl-3-oxidanylidene-heptanenitrile

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-6-methyl-3-oxidanylidene-heptanenitrile Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-6-methyl-3-oxo-heptanenitrile CAS Name: 2-(5-chloro-2-methoxyphenyl)-6-methyl-3-oxoheptanenitrile IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-6-methyl-3-oxoheptanenitrile Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-3-keto-6-methyl-enanthonitrile Formula: C15H18ClNO2 MolecularWeight: 279.76192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClNO2/c1-10(2)4-6-14(18)13(9-17)12-8-11(16)5-7-15(12)19-3/h5,7-8,10,13H,4,6H2,1-3H3