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CAS 139481-28-0

:

BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER

Description:
The chemical substance known as "BENZOIC ACID, 2-[[[2'-CYANO[1,1'-BIPHENYL]-4-YL]METHYL]AMINO]-3-NITRO-METHYL ESTER," with the CAS number 139481-28-0, is a complex organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety, which contributes to its acidity and potential for forming esters. The presence of a cyano group and a nitro group indicates that the compound may exhibit significant reactivity and polarity, influencing its solubility and interaction with other substances. The biphenyl structure suggests potential for π-π stacking interactions, which could affect its physical properties and biological activity. Additionally, the methyl ester functionality implies that it can undergo hydrolysis to release benzoic acid and other components. Overall, this compound may have applications in pharmaceuticals or materials science, but its specific properties, such as melting point, boiling point, and solubility, would require empirical measurement or detailed literature reference for precise characterization.
Formula:C22H17N3O4
InChI:InChI=1/C22H17N3O4/c1-29-22(26)19-7-4-8-20(25(27)28)21(19)24-14-15-9-11-16(12-10-15)18-6-3-2-5-17(18)13-23/h2-12,24H,14H2,1H3
InChI key:InChIKey=ZIRAEAZVSCADHC-UHFFFAOYSA-N
SMILES:N(CC1=CC=C(C=C1)C2=C(C#N)C=CC=C2)C3=C(C(OC)=O)C=CC=C3N(=O)=O
Synonyms:
  • 4-Yl)Methyl]Amino]-3-Nitro-,Methyl Ester
  • Benzoic acid, 2-[[(2'-cyano[1,1'-biphenyl]-
  • Methyl 2-((2'-Cyanobiphenyl-4-Yl)Methylamino)-3-Nitrobenzoate
  • Methyl 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitrobenzoate
  • Methyl 2-{[(2'-Cyanobiphenyl-4-Yl)Methyl]Amino}-3-Nitrobenzoate
  • Methyl,2-[[(2'-Cyano[1,1'-Biphenyl]-4-yl)methyl]amino]-3-Nitro Benzoate
  • Benzoic acid, 2-[[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]amino]-3-nitro-, methyl ester
  • BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO...
  • Candesartan Cilexetil Impurity 8
  • 2-[[(2'-Cyano[1,1'-biphenyl]-4-yl)Methyl]aMino]-3-nitro-benzoic Acid Methyl Ester
  • See more synonyms
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