2-[3-(3-chloranyl-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(3-chloranyl-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]ethanenitrile Openeye Name: 2-[3-(3-chloro-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]acetonitrile CAS Name: 2-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile IUPAC Name: 2-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile Traditional Name: 2-[3-(3-chloro-4,5-dimethoxy-phenyl)-1,2,4-oxadiazol-5-yl]acetonitrile Formula: C12H10ClN3O3 MolecularWeight: 279.6791

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=NOC(=N2)CC#N)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=NOC(=N2)CC#N)Cl)OC

InChI

InChI=1S/C12H10ClN3O3/c1-17-9-6-7(5-8(13)11(9)18-2)12-15-10(3-4-14)19-16-12/h5-6H,3H2,1-2H3