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KJZ

Summary
Name:[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
Formula:C23 H20 Cl N3 O4
Formal charge:0
Formula weight:437.876 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazinyl]acetic acid
OpenEye OEToolkits1.7.02-[[4-[(2-chlorophenyl)amino]-4-oxo-butanoyl]-[(E)-naphthalen-1-ylmethylideneamino]amino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccccc3NC(=O)CCC(=O)N(/N=C/c2c1ccccc1ccc2)CC(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)CN(\N=C\c1cccc2ccccc12)C(=O)CCC(=O)Nc3ccccc3Cl
SMILESCACTVS3.370OC(=O)CN(N=Cc1cccc2ccccc12)C(=O)CCC(=O)Nc3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc2c(c1)cccc2/C=N/N(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl
SMILESOpenEye OEToolkits1.7.0c1ccc2c(c1)cccc2C=NN(CC(=O)O)C(=O)CCC(=O)Nc3ccccc3Cl
InChIInChI1.03InChI=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+
InChIKeyInChI1.03HHHUDHYQFQBYIZ-AFUMVMLFSA-N

223532

數據於2024-08-07公開中

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