4-[[7-(3-methoxyphenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[7-(3-methoxyphenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[hydroxy-[7-(3-methoxyphenyl)-5-nitro-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[hydroxy-[7-(3-methoxyphenyl)-5-nitro-2-benzofuranyl]-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[hydroxy-[7-(3-methoxyphenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[hydroxy-[7-(3-methoxyphenyl)-5-nitro-benzofuran-2-yl]-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C27H20N4O5 MolecularWeight: 480.4715

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC(=CC=C5)OC)[N+](=O)[O-])O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC(=CC=C5)OC)[N+](=O)[O-])O

InChI

InChI=1S/C27H20N4O5/c1-30-16-29-15-24(30)27(32,20-8-6-17(14-28)7-9-20)25-12-19-10-21(31(33)34)13-23(26(19)36-25)18-4-3-5-22(11-18)35-2/h3-13,15-16,32H,1-2H3