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XZK

Summary
Name:N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide
Formula:C14 H10 Cl N3 O4
Formal charge:0
Formula weight:319.7 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide
OpenEye OEToolkits2.0.7~{N}-(4-aminocarbonylphenyl)-2-chloranyl-5-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc(cc1)C(N)=O)c1cc(ccc1Cl)[N+]([O-])=O
InChIInChI1.06InChI=1S/C14H10ClN3O4/c15-12-6-5-10(18(21)22)7-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20)
InChIKeyInChI1.06KKGNLIYEFKWUEM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1
SMILESCACTVS3.385NC(=O)c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)N)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)N)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]

227344

PDB entries from 2024-11-13

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