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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-iodanyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-iodo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-iodo-5-methoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylonitrile Formula: C24H17IN4O4 MolecularWeight: 552.32065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)I)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)I)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H17IN4O4/c1-32-22-12-16(10-17(13-26)24-27-20-4-2-3-5-21(20)28-24)11-19(25)23(22)33-14-15-6-8-18(9-7-15)29(30)31/h2-12H,14H2,1H3,(H,27,28)/b17-10+