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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodanyl-4,5-dimethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4,5-dimethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4,5-dimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4,5-dimethoxy-phenyl)acrylonitrile Formula: C18H14IN3O2 MolecularWeight: 431.22713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)I)OC

InChI

InChI=1S/C18H14IN3O2/c1-23-16-9-11(8-13(19)17(16)24-2)7-12(10-20)18-21-14-5-3-4-6-15(14)22-18/h3-9H,1-2H3,(H,21,22)/b12-7+