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

Systemtic Name: 2-[3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]ethanenitrile Openeye Name: 2-[3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]acetonitrile CAS Name: 2-[3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile IUPAC Name: 2-[3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile Traditional Name: 2-[3-(3-chloro-4-ethoxy-5-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]acetonitrile Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C2=NOC(=N2)CC#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C2=NOC(=N2)CC#N)OC

InChI

InChI=1S/C13H12ClN3O3/c1-3-19-12-9(14)6-8(7-10(12)18-2)13-16-11(4-5-15)20-17-13/h6-7H,3-4H2,1-2H3