3-imidazol-1-yl-2-[2-(4-methylphenoxy)-3-nitro-phenyl]-2-[3-(trichloromethyl)phenyl]propanenitrile

Systemtic Name: 3-imidazol-1-yl-2-[2-(4-methylphenoxy)-3-nitro-phenyl]-2-[3-(trichloromethyl)phenyl]propanenitrile Openeye Name: 3-imidazol-1-yl-2-[2-(4-methylphenoxy)-3-nitro-phenyl]-2-[3-(trichloromethyl)phenyl]propanenitrile CAS Name: 3-(1-imidazolyl)-2-[2-(4-methylphenoxy)-3-nitrophenyl]-2-[3-(trichloromethyl)phenyl]propanenitrile IUPAC Name: 3-imidazol-1-yl-2-[2-(4-methylphenoxy)-3-nitrophenyl]-2-[3-(trichloromethyl)phenyl]propanenitrile Traditional Name: 3-imidazol-1-yl-2-[2-(4-methylphenoxy)-3-nitro-phenyl]-2-[3-(trichloromethyl)phenyl]propionitrile Formula: C26H19Cl3N4O3 MolecularWeight: 541.81306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=CC=C2[N+](=O)[O-])C(CN3C=CN=C3)(C#N)C4=CC(=CC=C4)C(Cl)(Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=CC=C2[N+](=O)[O-])C(CN3C=CN=C3)(C#N)C4=CC(=CC=C4)C(Cl)(Cl)Cl

InChI

InChI=1S/C26H19Cl3N4O3/c1-18-8-10-21(11-9-18)36-24-22(6-3-7-23(24)33(34)35)25(15-30,16-32-13-12-31-17-32)19-4-2-5-20(14-19)26(27,28)29/h2-14,17H,16H2,1H3