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D59

Summary
Name:N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
Formula:C14 H10 Cl2 N2 O3
Formal charge:0
Formula weight:325.147 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(3,5-dichlorophenyl)-2-methyl-3-nitrobenzamide
OpenEye OEToolkits1.7.6N-[3,5-bis(chloranyl)phenyl]-2-methyl-3-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2cc(NC(=O)c1cccc([N+]([O-])=O)c1C)cc(Cl)c2
InChIInChI1.03InChI=1S/C14H10Cl2N2O3/c1-8-12(3-2-4-13(8)18(20)21)14(19)17-11-6-9(15)5-10(16)7-11/h2-7H,1H3,(H,17,19)
InChIKeyInChI1.03NKIJNFMSYDSAJK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1c(cccc1[N+]([O-])=O)C(=O)Nc2cc(Cl)cc(Cl)c2
SMILESCACTVS3.385Cc1c(cccc1[N+]([O-])=O)C(=O)Nc2cc(Cl)cc(Cl)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl
SMILESOpenEye OEToolkits1.7.6Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl

224572

PDB entries from 2024-09-04

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