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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodanyl-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-5-methoxy-4-propoxy-phenyl)acrylonitrile Formula: C20H18IN3O2 MolecularWeight: 459.28029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C(C#N)C2=NC3=CC=CC=C3N2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC

InChI

InChI=1S/C20H18IN3O2/c1-3-8-26-19-15(21)10-13(11-18(19)25-2)9-14(12-22)20-23-16-6-4-5-7-17(16)24-20/h4-7,9-11H,3,8H2,1-2H3,(H,23,24)/b14-9+