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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodanyl-4-methoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3-iodo-4-methoxy-phenyl)acrylonitrile Formula: C17H12IN3O MolecularWeight: 401.20115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12IN3O/c1-22-16-7-6-11(9-13(16)18)8-12(10-19)17-20-14-4-2-3-5-15(14)21-17/h2-9H,1H3,(H,20,21)/b12-8+