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CHEBI:136445 - 1-aci-nitro-2-(1H-indol-3-yl)ethane

ChEBI IDCHEBI:136445
ChEBI Name1-aci-nitro-2-(1H-indol-3-yl)ethane
Stars
ASCII Name1-aci-nitro-2-(1H-indol-3-yl)ethane
DefinitionAn aci-nitro compound resulting from the formal tautomerisation of the nitro group of 3-(2-nitroethyl)indole.
Secondary ChEBI IDCHEBI:80960
Last Modified22 March 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H10N2O2
Net Charge0
Average Mass190.202
Monoisotopic Mass190.07423
SMILES[O-][N+](O)=CCc1cnc2ccccc12
InChIInChI=1S/C10H10N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2,(H,13,14)
InChIKeyLZEDEUNADWSJKX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-aci-nitro-2-(1H-indol-3-yl)ethane (CHEBI:136445) is a aci-nitro compound (CHEBI:136622)
1-aci-nitro-2-(1H-indol-3-yl)ethane (CHEBI:136445) is a indoles (CHEBI:24828)
IUPAC Name 
[2-(1H-indol-3-yl)ethylidene]azinic acid
Synonyms  Source
IAOx N-oxideKEGG COMPOUND
indole-3-acetaldoxime N-oxideKEGG COMPOUND
UniProt Name  Source
1-aci-nitro-2-(1H-indol-3-yl)ethaneUniProt
Manual XrefsDatabases
C17204KEGG COMPOUND
CPD-12386MetaCyc
Registry NumbersSources
Reaxys:20752795Reaxys