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CHEBI:48385 - 5-nitrovanillin

ChEBI IDCHEBI:48385
ChEBI Name5-nitrovanillin
Stars
DefinitionA member of the class of benzaldehydes that is vanillin in which the hydrogen ortho- to the hydroxy group is substituted by a nitro group.
Last Modified21 October 2015
Submitterhcourrier
DownloadsMolfile
FormulaC8H7NO5
Net Charge0
Average Mass197.146
Monoisotopic Mass197.03242
SMILES[H]C(=O)c1cc(OC)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
InChIKeyZEHYRTJBFMZHCY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-nitrovanillin (CHEBI:48385) has functional parent vanillin (CHEBI:18346)
5-nitrovanillin (CHEBI:48385) is a 2-nitrophenols (CHEBI:86421)
5-nitrovanillin (CHEBI:48385) is a benzaldehydes (CHEBI:22698)
Incoming Relation(s)
3-O-ethylentacapone (CHEBI:48380) has functional parent 5-nitrovanillin (CHEBI:48385)
3-O-methylentacapone (CHEBI:48381) has functional parent 5-nitrovanillin (CHEBI:48385)
IUPAC Name 
4-hydroxy-3-methoxy-5-nitrobenzaldehyde
Synonyms  Source
4-hydroxy-3-methoxy-5-nitro-benzaldehydeChemIDplus
3-methoxy-4-hydroxy-5-nitrobenzaldehydePatent
Manual XrefsDatabases
WO2005063693Patent
Registry NumbersSources
Reaxys:1973746Reaxys
CAS:6635-20-7ChemIDplus