Z5D

(2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid

Created: 2021-04-08
Last modified:  2021-04-28

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count54
Aromatic Bond Count23
2D diagram of Z5D
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Chemical Component Summary

Name(2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid
Systematic Name (OpenEye OEToolkits)(2~{E})-3-(2-nitrophenyl)-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
FormulaC24 H18 N4 O4 S
Molecular Weight458.489
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01[O-][N+](=O)c1ccccc1C/C(=N\Nc1nc(cs1)c1ccc(cc1)c1ccccc1)C(=O)O
SMILESCACTVS3.385OC(=O)C(Cc1ccccc1[N+]([O-])=O)=NNc2scc(n2)c3ccc(cc3)c4ccccc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)c2ccc(cc2)c3csc(n3)NN=C(Cc4ccccc4[N+](=O)[O-])C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)/C(Cc1ccccc1[N+]([O-])=O)=N/Nc2scc(n2)c3ccc(cc3)c4ccccc4
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)c2ccc(cc2)c3csc(n3)N/N=C(\Cc4ccccc4[N+](=O)[O-])/C(=O)O
InChIInChI1.03 InChI=1S/C24H18N4O4S/c29-23(30)20(14-19-8-4-5-9-22(19)28(31)32)26-27-24-25-21(15-33-24)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,15H,14H2,(H,25,27)(H,29,30)/b26-20+
InChIKeyInChI1.03 JKEOZOHBIPDTTJ-LHLOQNFPSA-N

Related Resource References

Resource NameReference
PubChem 11691101