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CHEBI:139475 - 3-nitroacetaminophen

ChEBI IDCHEBI:139475
ChEBI Name3-nitroacetaminophen
Stars
DefinitionA C-nitro compound that is acetaminophen (paracetamol) nitrated at position 3.
Last Modified17 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC8H8N2O4
Net Charge0
Average Mass196.162
Monoisotopic Mass196.04841
SMILESCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8N2O4/c1-5(11)9-6-2-3-8(12)7(4-6)10(13)14/h2-4,12H,1H3,(H,9,11)
InChIKeyXZYRROIQJHLVRG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-nitroacetaminophen (CHEBI:139475) has functional parent paracetamol (CHEBI:46195)
3-nitroacetaminophen (CHEBI:139475) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
N-(4-hydroxy-3-nitrophenyl)acetamide
Synonyms  Source
3-nitroparacetamolChEBI
paracetamol-3-nitrateChEBI
paracetamol 3-nitrateChEBI
3-nitro-acetaminophenChEBI
Registry NumbersSources
Reaxys:2808410Reaxys
CAS:51288-37-0ChemIDplus
Citations