CHEBI:81847 - Butralin

ChEBI IDCHEBI:81847
ChEBI NameButralin
Stars
DownloadsMolfile
FormulaC14H21N3O4
Net Charge0
Average Mass295.339
Monoisotopic Mass295.15321
SMILESCCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
InChIKeySPNQRCTZKIBOAX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Butralin (CHEBI:81847) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
C18582KEGG COMPOUND
104PPDB
Registry NumbersSources
CAS:33629-47-9KEGG COMPOUND