(E)-2-(1H-benzimidazol-2-yl)-3-[3,5-bis(iodanyl)-2-methoxy-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3,5-bis(iodanyl)-2-methoxy-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3,5-diiodo-2-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3,5-diiodo-2-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3,5-diiodo-2-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(3,5-diiodo-2-methoxy-phenyl)acrylonitrile Formula: C17H11I2N3O MolecularWeight: 527.09768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C=C(C#N)C2=NC3=CC=CC=C3N2)I)I

Isomeric SMILES

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

InChI

InChI=1S/C17H11I2N3O/c1-23-16-10(7-12(18)8-13(16)19)6-11(9-20)17-21-14-4-2-3-5-15(14)22-17/h2-8H,1H3,(H,21,22)/b11-6+