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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-5-iodanyl-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-ethoxy-5-iodo-4-methoxy-phenyl)acrylonitrile Formula: C19H16IN3O2 MolecularWeight: 445.25371

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)I)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)I)OC

InChI

InChI=1S/C19H16IN3O2/c1-3-25-17-10-12(9-14(20)18(17)24-2)8-13(11-21)19-22-15-6-4-5-7-16(15)23-19/h4-10H,3H2,1-2H3,(H,22,23)/b13-8+