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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-acetamido-2-amino-6-nitrotoluene ChEBI ID CHEBI:20302 Definition A member of the class of amino-nitrotoluenes that is 2-amino-6-nitrotoluene bearing an additional acetamido group at position 4. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H11N3O3 Net Charge 0 Average Mass 209.20190 Monoisotopic Mass 209.08004 InChI InChI=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) InChIKey VVBFFAYCAFLAAG-UHFFFAOYSA-N SMILES CC(=O)Nc1cc(N)c(C)c(c1)[N+]([O-])=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. View more via ChEBI Ontology ChEBI Ontology Outgoing 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-nitrotoluene ChEBI Manual Xref Database C16420 KEGG COMPOUND View more database links Registry Number Type Source 3314627 Reaxys Registry Number Reaxys Last Modified 12 June 2015