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CHEBI:75058 - 4-nitrophenyl phthalimidoacetate

ChEBI IDCHEBI:75058
ChEBI Name4-nitrophenyl phthalimidoacetate
Stars
DefinitionA carboxylic ester obtained by formal condensation of the carboxy group of phthalimidoacetic acid with the phenolic hydroxy group of 4-nitrophenol.
Last Modified3 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H10N2O6
Net Charge0
Average Mass326.264
Monoisotopic Mass326.05389
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10N2O6/c19-14(24-11-7-5-10(6-8-11)18(22)23)9-17-15(20)12-3-1-2-4-13(12)16(17)21/h1-8H,9H2
InChIKeyFSCDNNJLCIKUHL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl phthalimidoacetate (CHEBI:75058) has functional parent 4-nitrophenol (CHEBI:16836)
4-nitrophenyl phthalimidoacetate (CHEBI:75058) has functional parent glycine (CHEBI:15428)
4-nitrophenyl phthalimidoacetate (CHEBI:75058) has functional parent phthalimide (CHEBI:38817)
4-nitrophenyl phthalimidoacetate (CHEBI:75058) is a C-nitro compound (CHEBI:35716)
4-nitrophenyl phthalimidoacetate (CHEBI:75058) is a carboxylic ester (CHEBI:33308)
4-nitrophenyl phthalimidoacetate (CHEBI:75058) is a phthalimides (CHEBI:82851)
IUPAC Name 
4-nitrophenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Synonym  Source
p-nitrophenyl phthalimidoacetateChEBI
Registry NumbersSources
Reaxys:335080Reaxys