CHEBI:81914 - Dinobuton

ChEBI IDCHEBI:81914
ChEBI NameDinobuton
Stars
DownloadsMolfile
FormulaC14H18N2O7
Net Charge0
Average Mass326.305
Monoisotopic Mass326.11140
SMILESCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C
InChIInChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
InChIKeyHDWLUGYOLUHEMN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dinobuton (CHEBI:81914) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
C18721KEGG COMPOUND
249PPDB
Registry NumbersSources
CAS:973-21-7KEGG COMPOUND