3-[5-(3-iodanyl-4-phenylmethoxy-phenyl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propanenitrile

Systemtic Name: 3-[5-(3-iodanyl-4-phenylmethoxy-phenyl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propanenitrile Openeye Name: 3-[5-(4-benzyloxy-3-iodo-phenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanenitrile CAS Name: 3-[5-(3-iodo-4-phenylmethoxyphenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanenitrile IUPAC Name: 3-[5-(3-iodo-4-phenylmethoxyphenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanenitrile Traditional Name: 3-[5-(4-benzoxy-3-iodo-phenyl)-2-keto-1,3,4-oxadiazol-3-yl]propionitrile Formula: C18H14IN3O3 MolecularWeight: 447.22653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NN(C(=O)O3)CCC#N)I

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NN(C(=O)O3)CCC#N)I

InChI

InChI=1S/C18H14IN3O3/c19-15-11-14(17-21-22(10-4-9-20)18(23)25-17)7-8-16(15)24-12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,10,12H2