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

Systemtic Name: (E)-3-(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-allyloxy-3-iodo-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-allyloxy-3-iodo-5-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H18IN3O2 MolecularWeight: 471.29099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C(=C3)I)OCC=C)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C(=C3)I)OCC=C)OC)/C#N

InChI

InChI=1S/C21H18IN3O2/c1-4-7-27-20-16(22)10-14(11-19(20)26-3)9-15(12-23)21-24-17-6-5-13(2)8-18(17)25-21/h4-6,8-11H,1,7H2,2-3H3,(H,24,25)/b15-9+