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B05

Summary
Name:N-[2-(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-[2-(benzyloxy)phenyl]-3-nitrobenzamide
OpenEye OEToolkits1.9.23-nitro-N-(2-phenylmethoxyphenyl)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=[N+]([O-])c3cc(C(=O)Nc1c(cccc1)OCc2ccccc2)ccc3
InChIInChI1.03InChI=1S/C20H16N2O4/c23-20(16-9-6-10-17(13-16)22(24)25)21-18-11-4-5-12-19(18)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23)
InChIKeyInChI1.03LWRSEQLBQHKFTL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[O-][N+](=O)c1cccc(c1)C(=O)Nc2ccccc2OCc3ccccc3
SMILESCACTVS3.385[O-][N+](=O)c1cccc(c1)C(=O)Nc2ccccc2OCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-]

219869

PDB entries from 2024-05-15

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