(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(5-methoxy-2-nitro-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-5-methoxy-2-nitro-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(5-methoxy-2-nitro-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-5-methoxy-2-nitro-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC(=C(C=C3[N+](=O)[O-])OCC4=CC=CC=C4)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC(=C(C=C3[N+](=O)[O-])OCC4=CC=CC=C4)OC)/C#N

InChI

InChI=1S/C26H22N4O4/c1-16-9-21-22(10-17(16)2)29-26(28-21)20(14-27)11-19-12-24(33-3)25(13-23(19)30(31)32)34-15-18-7-5-4-6-8-18/h4-13H,15H2,1-3H3,(H,28,29)/b20-11+