4-[[2-(3-methoxyphenyl)-4-nitro-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(3-methoxyphenyl)-4-nitro-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[2-(3-methoxyphenyl)-4-nitro-phenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[2-(3-methoxyphenyl)-4-nitrophenyl]methoxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[2-(3-methoxyphenyl)-4-nitrophenyl]methoxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[2-(3-methoxyphenyl)-4-nitro-benzyl]oxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)OCC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H22N4O4/c1-29-17-28-15-25(29)26(19-8-6-18(14-27)7-9-19)34-16-21-10-11-22(30(31)32)13-24(21)20-4-3-5-23(12-20)33-2/h3-13,15,17,26H,16H2,1-2H3