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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:48385 - 5-nitrovanillin
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ChEBI Ontology
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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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Molfile
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
View more database links
Registry Numbers
Types
Sources
1973746
Reaxys Registry Number
Reaxys
6635-20-7
CAS Registry Number
ChemIDplus
Last Modified
21 October 2015