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6BH

Summary
Name:N-[3-(benzyloxy)phenyl]-3-nitrobenzamide
Formula:C20 H16 N2 O4
Formal charge:0
Formula weight:348.352 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(benzyloxy)phenyl]-3-nitrobenzamide
OpenEye OEToolkits1.9.23-nitro-N-(3-phenylmethoxyphenyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=[N+]([O-])c1cccc(c1)C(=O)Nc2cccc(c2)OCc3ccccc3
InChIInChI1.03InChI=1S/C20H16N2O4/c23-20(16-8-4-10-18(12-16)22(24)25)21-17-9-5-11-19(13-17)26-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,21,23)
InChIKeyInChI1.03DCTGPPMQMGEMFR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[O-][N+](=O)c1cccc(c1)C(=O)Nc2cccc(OCc3ccccc3)c2
SMILESCACTVS3.385[O-][N+](=O)c1cccc(c1)C(=O)Nc2cccc(OCc3ccccc3)c2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)COc2cccc(c2)NC(=O)c3cccc(c3)[N+](=O)[O-]

225946

PDB entries from 2024-10-09

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