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CHEBI:136829 - 1-aci-nitro-2-(phenyl)ethane

ChEBI IDCHEBI:136829
ChEBI Name1-aci-nitro-2-(phenyl)ethane
Stars
ASCII Name1-aci-nitro-2-(phenyl)ethane
DefinitionAn aci-nitro compound resulting from the formal tautomerisation of the nitro group of (2-nitroethyl)benzene.
Last Modified19 April 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H9NO2
Net Charge0
Average Mass151.165
Monoisotopic Mass151.06333
SMILES[O-][N+](O)=CCc1ccccc1
InChIInChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,10,11)
InChIKeyKUPCZGVUUHIRGX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-aci-nitro-2-(phenyl)ethane (CHEBI:136829) is a aci-nitro compound (CHEBI:136622)
1-aci-nitro-2-(phenyl)ethane (CHEBI:136829) is a benzenes (CHEBI:22712)
IUPAC Name 
(2-phenylethylidene)azinic acid
UniProt Name  Source
1-aci-nitro-2-(phenyl)ethaneUniProt
Manual XrefsDatabases
CPD-12383MetaCyc
Registry NumbersSources
Reaxys:7987841Reaxys