(E)-3-(3,4-diethoxy-5-iodanyl-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3,4-diethoxy-5-iodanyl-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3,4-diethoxy-5-iodo-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3,4-diethoxy-5-iodophenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3,4-diethoxy-5-iodophenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3,4-diethoxy-5-iodo-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H20IN3O3 MolecularWeight: 489.30627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C=C3)OC)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)OC)I)OCC

InChI

InChI=1S/C21H20IN3O3/c1-4-27-19-10-13(9-16(22)20(19)28-5-2)8-14(12-23)21-24-17-7-6-15(26-3)11-18(17)25-21/h6-11H,4-5H2,1-3H3,(H,24,25)/b14-8+