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VUT

Summary
Name:5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
Synonyms:Niclosamide
Formula:C13 H8 Cl2 N2 O4
Formal charge:0
Formula weight:327.12 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
OpenEye OEToolkits2.0.75-chloranyl-~{N}-(2-chloranyl-4-nitro-phenyl)-2-oxidanyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc(ccc1NC(=O)c1cc(Cl)ccc1O)[N+]([O-])=O
InChIInChI1.06InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
InChIKeyInChI1.06RJMUSRYZPJIFPJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O
SMILESCACTVS3.385Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1[N+](=O)[O-])Cl)NC(=O)c2cc(ccc2O)Cl

223532

数据于2024-08-07公开中

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