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CHEBI:20302 - 4-acetamido-2-amino-6-nitrotoluene

ChEBI IDCHEBI:20302
ChEBI Name4-acetamido-2-amino-6-nitrotoluene
Stars
DefinitionA member of the class of amino-nitrotoluenes that is 2-amino-6-nitrotoluene bearing an additional acetamido group at position 4.
Last Modified12 June 2015
DownloadsMolfile
FormulaC9H11N3O3
Net Charge0
Average Mass209.205
Monoisotopic Mass209.08004
SMILESCC(=O)Nc1cc(N)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C9H11N3O3/c1-5-8(10)3-7(11-6(2)13)4-9(5)12(14)15/h3-4H,10H2,1-2H3,(H,11,13)
InChIKeyVVBFFAYCAFLAAG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
ChEBI Ontology
Outgoing Relation(s)
4-acetamido-2-amino-6-nitrotoluene (CHEBI:20302) has role xenobiotic metabolite (CHEBI:76206)
4-acetamido-2-amino-6-nitrotoluene (CHEBI:20302) is a acetamides (CHEBI:22160)
4-acetamido-2-amino-6-nitrotoluene (CHEBI:20302) is a amino-nitrotoluene (CHEBI:22482)
4-acetamido-2-amino-6-nitrotoluene (CHEBI:20302) is a aromatic amide (CHEBI:62733)
IUPAC Name 
N-(3-amino-4-methyl-5-nitrophenyl)acetamide
Synonym  Source
4-acetylamino-2-amino-6-nitrotolueneChEBI
Manual XrefsDatabases
C16420KEGG COMPOUND
Registry NumbersSources
Reaxys:3314627Reaxys