CHEBI:81725 - Nicarbazin

ChEBI IDCHEBI:81725
ChEBI NameNicarbazin
Stars
DownloadsMolfile
FormulaC13H10N4O5.C6H8N2O
Net Charge0
Average Mass426.389
Monoisotopic Mass426.12878
SMILESCc1cc(C)nc(=O)n1.O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10N4O5.C6H8N2O/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22;1-4-3-5(2)8-6(9)7-4/h1-8H,(H2,14,15,18);3H,1-2H3,(H,7,8,9)
InChIKeyUKHWDRMMMYWSFL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Nicarbazin (CHEBI:81725) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
1722VSDB
C18389KEGG COMPOUND
Registry NumbersSources
CAS:330-95-0KEGG COMPOUND