4-[(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-1-benzofuran-2-yl)-oxidanyl-methyl]benzoic acid

Systemtic Name: 4-[(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-1-benzofuran-2-yl)-oxidanyl-methyl]benzoic acid Openeye Name: 4-[hydroxy-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-benzofuran-2-yl)methyl]benzoic acid CAS Name: 4-[hydroxy-(3-methyl-4-imidazolyl)-(5-nitro-7-phenyl-2-benzofuranyl)methyl]benzoic acid IUPAC Name: 4-[hydroxy-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-1-benzofuran-2-yl)methyl]benzoic acid Traditional Name: 4-[hydroxy-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-benzofuran-2-yl)methyl]benzoic acid Formula: C26H19N3O6 MolecularWeight: 469.44556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H19N3O6/c1-28-15-27-14-22(28)26(32,19-9-7-17(8-10-19)25(30)31)23-12-18-11-20(29(33)34)13-21(24(18)35-23)16-5-3-2-4-6-16/h2-15,32H,1H3,(H,30,31)