3-(4-chloranyl-3-ethyl-phenoxy)pentanenitrile

Systemtic Name: 3-(4-chloranyl-3-ethyl-phenoxy)pentanenitrile Openeye Name: 3-(4-chloro-3-ethyl-phenoxy)pentanenitrile CAS Name: 3-(4-chloro-3-ethylphenoxy)pentanenitrile IUPAC Name: 3-(4-chloro-3-ethylphenoxy)pentanenitrile Traditional Name: 3-(4-chloro-3-ethyl-phenoxy)valeronitrile Formula: C13H16ClNO MolecularWeight: 237.72524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC(CC)CC#N)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OC(CC)CC#N)Cl

InChI

InChI=1S/C13H16ClNO/c1-3-10-9-12(5-6-13(10)14)16-11(4-2)7-8-15/h5-6,9,11H,3-4,7H2,1-2H3