4-(4-iodanylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(4-iodanylphenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-iodophenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(4-iodophenoxy)-2-(1-methyl-2-benzimidazolyl)-3-oxobutanenitrile IUPAC Name: 4-(4-iodophenoxy)-2-(1-methylbenzimidazol-2-yl)-3-oxobutanenitrile Traditional Name: 4-(4-iodophenoxy)-3-keto-2-(1-methylbenzimidazol-2-yl)butyronitrile Formula: C18H14IN3O2 MolecularWeight: 431.22713

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)COC3=CC=C(C=C3)I

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)COC3=CC=C(C=C3)I

InChI

InChI=1S/C18H14IN3O2/c1-22-16-5-3-2-4-15(16)21-18(22)14(10-20)17(23)11-24-13-8-6-12(19)7-9-13/h2-9,14H,11H2,1H3