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

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-3-oxidanylidene-hexanenitrile Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-3-oxo-hexanenitrile CAS Name: 2-(5-chloro-2-methoxyphenyl)-3-oxohexanenitrile IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-3-oxohexanenitrile Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-3-keto-hexanenitrile Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO2/c1-3-4-12(16)11(8-15)10-7-9(14)5-6-13(10)17-2/h5-7,11H,3-4H2,1-2H3