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BXG

Summary
Name:2-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
Formula:C17 H12 Cl N3 O4
Formal charge:0
Formula weight:357.748 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-N-(6-methoxyquinolin-4-yl)-5-nitrobenzamide
OpenEye OEToolkits2.0.62-chloranyl-~{N}-(6-methoxyquinolin-4-yl)-5-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(ccc1Cl)[N+]([O-])=O)C(Nc2ccnc3c2cc(cc3)OC)=O
InChIInChI1.03InChI=1S/C17H12ClN3O4/c1-25-11-3-5-15-13(9-11)16(6-7-19-15)20-17(22)12-8-10(21(23)24)2-4-14(12)18/h2-9H,1H3,(H,19,20,22)
InChIKeyInChI1.03CVTZAGCRUDYUGB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2nccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2c1
SMILESCACTVS3.385COc1ccc2nccc(NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]
SMILESOpenEye OEToolkits2.0.6COc1ccc2c(c1)c(ccn2)NC(=O)c3cc(ccc3Cl)[N+](=O)[O-]

222415

数据于2024-07-10公开中

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