NH8

3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile


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Chemical Component Summary

Name3-{2-[(S)-(4-cyanophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl]-5-nitro-1-benzofuran-7-yl}benzonitrile
Identifiers4-[(S)-[7-(3-cyanophenyl)-5-nitro-1-benzofuran-2-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile
FormulaC27 H17 N5 O4
Molecular Weight475.455
TypeNON-POLYMER
Isomeric SMILESCn1cncc1[C@@](c2ccc(cc2)C#N)(c3cc4cc(cc(c4o3)c5cccc(c5)C#N)[N+](=O)[O-])O
InChIInChI=1S/C27H17N5O4/c1-31-16-30-15-24(31)27(33,21-7-5-17(13-28)6-8-21)25-11-20-10-22(32(34)35)12-23(26(20)36-25)19-4-2-3-18(9-19)14-29/h2-12,15-16,33H,1H3/t27-/m0/s1
InChIKeyNYEPLLLECMESPU-MHZLTWQESA-N

Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count1
Bond Count57
Aromatic Bond Count28

Related Resource References

Resource NameReference
PubChem 25163968