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

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

Systemtic Name:4-[(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-1-benzofuran-2-yl)-oxidanyl-methyl]benzenecarbonitrile hydrochloride
Openeye Name:4-[hydroxy-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-benzofuran-2-yl)methyl]benzonitrile hydrochloride
CAS Name:4-[hydroxy-(3-methyl-4-imidazolyl)-(5-nitro-7-phenyl-2-benzofuranyl)methyl]benzonitrile hydrochloride
IUPAC Name:4-[hydroxy-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-1-benzofuran-2-yl)methyl]benzonitrile hydrochloride
Traditional Name:4-[hydroxy-(3-methylimidazol-4-yl)-(5-nitro-7-phenyl-benzofuran-2-yl)methyl]benzonitrile hydrochloride
Formula: C26H19ClN4O4
MolecularWeight: 486.90646
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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)[N+](=O)[O-])O.Cl


Isomeric SMILES

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


InChI

InChI=1S/C26H18N4O4.ClH/c1-29-16-28-15-23(29)26(31,20-9-7-17(14-27)8-10-20)24-12-19-11-21(30(32)33)13-22(25(19)34-24)18-5-3-2-4-6-18;/h2-13,15-16,31H,1H3;1H


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