4-[2-[5-[2-(2-chloranyl-3,4-dimethoxy-phenyl)ethenyl]-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[5-[2-(2-chloranyl-3,4-dimethoxy-phenyl)ethenyl]-2-oxidanylidene-1,3,4-oxadiazol-3-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-[5-[2-(2-chloro-3,4-dimethoxy-phenyl)vinyl]-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]benzonitrile CAS Name: 4-[2-[5-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]benzonitrile IUPAC Name: 4-[2-[5-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-2-oxo-1,3,4-oxadiazol-3-yl]ethyl]benzonitrile Traditional Name: 4-[2-[5-[2-(2-chloro-3,4-dimethoxy-phenyl)vinyl]-2-keto-1,3,4-oxadiazol-3-yl]ethyl]benzonitrile Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC2=NN(C(=O)O2)CCC3=CC=C(C=C3)C#N)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=CC2=NN(C(=O)O2)CCC3=CC=C(C=C3)C#N)Cl)OC

InChI

InChI=1S/C21H18ClN3O4/c1-27-17-9-7-16(19(22)20(17)28-2)8-10-18-24-25(21(26)29-18)12-11-14-3-5-15(13-23)6-4-14/h3-10H,11-12H2,1-2H3