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A1CFA

Summary
Name:[(1E)-3-(4-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid
Formula:C10 H11 Cl N O5 P
Formal charge:0
Formula weight:291.625 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52[(1E)-3-(4-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid
OpenEye OEToolkits3.1.0.0[(~{E})-3-[(4-chlorophenyl)carbonyl-oxidanyl-amino]prop-1-enyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(c1ccc(Cl)cc1)N(O)C/C=C/P(=O)(O)O
InChIInChI1.06InChI=1S/C10H11ClNO5P/c11-9-4-2-8(3-5-9)10(13)12(14)6-1-7-18(15,16)17/h1-5,7,14H,6H2,(H2,15,16,17)/b7-1+
InChIKeyInChI1.06JQNHMGORVLNPLD-LREOWRDNSA-N
SMILES_CANONICALCACTVS3.385ON(C\C=C\[P](O)(O)=O)C(=O)c1ccc(Cl)cc1
SMILESCACTVS3.385ON(CC=C[P](O)(O)=O)C(=O)c1ccc(Cl)cc1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1C(=O)N(C/C=C/P(=O)(O)O)O)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1C(=O)N(CC=CP(=O)(O)O)O)Cl

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PDB entries from 2026-04-08

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