EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H8N4O6S |
| Net Charge | 0 |
| Average Mass | 324.274 |
| Monoisotopic Mass | 324.01645 |
| SMILES | O=C(Nc1nnc(C2=COCCO2)o1)c1ccc([N+](=O)[O-])s1 |
| InChI | InChI=1S/C11H8N4O6S/c16-9(7-1-2-8(22-7)15(17)18)12-11-14-13-10(21-11)6-5-19-3-4-20-6/h1-2,5H,3-4H2,(H,12,14,16) |
| InChIKey | RBQJOQGIUQMPNT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide (CHEBI:119974) is a C-nitro compound (CHEBI:35716) |
| N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-5-nitro-2-thiophenecarboxamide (CHEBI:119974) is a thiophenes (CHEBI:26961) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31417 | LINCS |