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

Systemtic Name: 4-[[7-(2-fluorophenyl)-5-nitro-1-benzofuran-2-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[7-(2-fluorophenyl)-5-nitro-benzofuran-2-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[7-(2-fluorophenyl)-5-nitro-2-benzofuranyl]-hydroxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[7-(2-fluorophenyl)-5-nitro-1-benzofuran-2-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[[7-(2-fluorophenyl)-5-nitro-benzofuran-2-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C26H17FN4O4 MolecularWeight: 468.435983

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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=C5F)[N+](=O)[O-])O

Isomeric SMILES

CN1C=NC=C1C(C2=CC=C(C=C2)C#N)(C3=CC4=CC(=CC(=C4O3)C5=CC=CC=C5F)[N+](=O)[O-])O

InChI

InChI=1S/C26H17FN4O4/c1-30-15-29-14-23(30)26(32,18-8-6-16(13-28)7-9-18)24-11-17-10-19(31(33)34)12-21(25(17)35-24)20-4-2-3-5-22(20)27/h2-12,14-15,32H,1H3