(E)-2-(1H-benzimidazol-2-yl)-3-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]acrylonitrile Formula: C24H17N5O6 MolecularWeight: 471.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H17N5O6/c1-2-34-23-12-15(11-16(14-25)24-26-18-5-3-4-6-19(18)27-24)7-9-22(23)35-21-10-8-17(28(30)31)13-20(21)29(32)33/h3-13H,2H2,1H3,(H,26,27)/b16-11+