(E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]acrylonitrile Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=C(\C#N)/C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O3/c1-26(2,3)19-9-11-20(12-10-19)33-24-13-8-17(15-23(24)30(31)32)14-18(16-27)25-28-21-6-4-5-7-22(21)29-25/h4-15H,1-3H3,(H,28,29)/b18-14+