CHEBI:81725 - Nicarbazin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Nicarbazin
ChEBI ID CHEBI:81725
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H18N6O6
Net Charge 0
Average Mass 426.38280
Monoisotopic Mass 426.12878
InChI InChI=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)
InChIKey UKHWDRMMMYWSFL-UHFFFAOYSA-N
SMILES Cc1cc(C)[nH]c(=O)n1.[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
ChEBI Ontology
Outgoing Nicarbazin (CHEBI:81725) is a organic molecular entity (CHEBI:50860)
Manual Xrefs Databases
1722 VSDB
C18389 KEGG COMPOUND
View more database links
Registry Number Type Source
330-95-0 CAS Registry Number KEGG COMPOUND