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CHEBI:136446 - 1-aci-nitro-2-(4-hydroxyphenyl)ethane

ChEBI IDCHEBI:136446
ChEBI Name1-aci-nitro-2-(4-hydroxyphenyl)ethane
Stars
ASCII Name1-aci-nitro-2-(4-hydroxyphenyl)ethane
DefinitionAn aci-nitro compound resulting from the formal tautomerisation of the nitro group of p-(2-nitroethyl)phenol.
Last Modified19 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H9NO3
Net Charge0
Average Mass167.164
Monoisotopic Mass167.05824
SMILES[O-][N+](O)=CCc1ccc(O)cc1
InChIInChI=1S/C8H9NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-4,6,10H,5H2,(H,11,12)
InChIKeyYIKJHONXDKKKLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-aci-nitro-2-(4-hydroxyphenyl)ethane (CHEBI:136446) is a aci-nitro compound (CHEBI:136622)
1-aci-nitro-2-(4-hydroxyphenyl)ethane (CHEBI:136446) is a phenols (CHEBI:33853)
IUPAC Name 
[2-(4-hydroxyphenyl)ethylidene]azinic acid
Synonyms  Source
(4-hydroxyphenyl)acetaldehyde oxime N-oxideChEBI
2-(4-hydroxyphenyl)-N-oxidanyl-ethanimine oxideChEBI
hydroxy(oxido)(2-phenylethylidene)azaniumMetaCyc
UniProt Name  Source
1-aci-nitro-2-(4-hydroxyphenyl)ethaneUniProt