CHEBI:48385 - 5-nitrovanillin

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ChEBI Name 5-nitrovanillin
ChEBI ID CHEBI:48385
Definition A member of the class of benzaldehydes that is vanillin in which the hydrogen ortho- to the hydroxy group is substituted by a nitro group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H7NO5
Net Charge 0
Average Mass 197.14490
Monoisotopic Mass 197.03242
InChI InChI=1S/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H3
InChIKey ZEHYRTJBFMZHCY-UHFFFAOYSA-N
SMILES [H]C(=O)c1cc(OC)c(O)c(c1)[N+]([O-])=O
ChEBI Ontology
Outgoing 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 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 Sources
3-methoxy-4-hydroxy-5-nitrobenzaldehyde Patent
4-hydroxy-3-methoxy-5-nitro-benzaldehyde ChemIDplus
Manual Xref Database
WO2005063693 Patent
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Registry Numbers Types Sources
1973746 Beilstein Registry Number Beilstein
1973746 Reaxys Registry Number Reaxys
6635-20-7 CAS Registry Number ChemIDplus
Last Modified
21 October 2015