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

Systemtic Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-(1-methyl-2-benzimidazolyl)-2-propenenitrile IUPAC Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitrophenyl]-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]-2-(1-methylbenzimidazol-2-yl)acrylonitrile Formula: C27H24N4O3 MolecularWeight: 452.50446

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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=C4N3C)[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=C4N3C)[N+](=O)[O-]

InChI

InChI=1S/C27H24N4O3/c1-27(2,3)20-10-12-21(13-11-20)34-25-14-9-18(16-24(25)31(32)33)15-19(17-28)26-29-22-7-5-6-8-23(22)30(26)4/h5-16H,1-4H3/b19-15+