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

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodophenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodophenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-ethoxy-3-iodo-phenyl)acrylonitrile Formula: C18H14IN3O MolecularWeight: 415.22773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14IN3O/c1-2-23-17-8-7-12(10-14(17)19)9-13(11-20)18-21-15-5-3-4-6-16(15)22-18/h3-10H,2H2,1H3,(H,21,22)/b13-9+