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

Systemtic Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodanyl-5-methoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-5-methoxy-phenyl)acrylonitrile Formula: C21H20IN3O2 MolecularWeight: 473.30687

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1I)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1I)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OC

InChI

InChI=1S/C21H20IN3O2/c1-5-27-20-16(22)9-14(10-19(20)26-4)8-15(11-23)21-24-17-6-12(2)13(3)7-18(17)25-21/h6-10H,5H2,1-4H3,(H,24,25)