KJZ

[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid

Created:2010-04-21
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count53
Aromatic Bond Count17
2D diagram of KJZ

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Chemical Component Summary

Name[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
Systematic Name (OpenEye OEToolkits)2-[[4-[(2-chlorophenyl)amino]-4-oxo-butanoyl]-[(E)-naphthalen-1-ylmethylideneamino]amino]ethanoic acid
FormulaC23 H20 Cl N3 O4
Molecular Weight437.876
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccccc3NC(=O)CCC(=O)N(/N=C/c2c1ccccc1ccc2)CC(=O)O
SMILESCACTVS3.370OC(=O)CN(N=Cc1cccc2ccccc12)C(=O)CCC(=O)Nc3ccccc3Cl
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)cccc2C=NN(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl
Canonical SMILESCACTVS3.370 OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc3ccccc3Cl
Canonical SMILESOpenEye OEToolkits1.7.0 c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl
InChIInChI1.03 InChI=1S/C23H20ClN3O4/c24-19-10-3-4-11-20(19)26-21(28)12-13-22(29)27(15-23(30)31)25-14-17-8-5-7-16-6-1-2-9-18(16)17/h1-11,14H,12-13,15H2,(H,26,28)(H,30,31)/b25-14+
InChIKeyInChI1.03 HHHUDHYQFQBYIZ-AFUMVMLFSA-N

Related Resource References

Resource NameReference
PubChem 46867263
ChEMBL CHEMBL1084868