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Y04

Summary
Name:(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
Formula:C14 H13 Cl N O5 P
Formal charge:0
Formula weight:341.683 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
OpenEye OEToolkits1.7.6[2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2ccccc2NC(=O)COc1ccccc1P(=O)(O)O
InChIInChI1.03InChI=1S/C14H13ClNO5P/c15-10-5-1-2-6-11(10)16-14(17)9-21-12-7-3-4-8-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20)
InChIKeyInChI1.03JDDBBUHKLPKHEI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2Cl
SMILESCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2ccccc2Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl

219140

PDB entries from 2024-05-01

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