(E)-3-[2-butoxy-3,5-bis(iodanyl)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[2-butoxy-3,5-bis(iodanyl)phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(2-butoxy-3,5-diiodo-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(2-butoxy-3,5-diiodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(2-butoxy-3,5-diiodophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(2-butoxy-3,5-diiodo-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H19I2N3O MolecularWeight: 583.204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I)I

Isomeric SMILES

CCCCOC1=C(C=C(C=C1/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C)I)I

InChI

InChI=1S/C21H19I2N3O/c1-3-4-7-27-20-14(10-16(22)11-17(20)23)9-15(12-24)21-25-18-6-5-13(2)8-19(18)26-21/h5-6,8-11H,3-4,7H2,1-2H3,(H,25,26)/b15-9+