EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H15N3O6S |
| Net Charge | 0 |
| Average Mass | 413.411 |
| Monoisotopic Mass | 413.06816 |
| SMILES | Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3ccc(O)c([N+](=O)[O-])c3)C2=O)c1 |
| InChI | InChI=1S/C19H15N3O6S/c1-11-3-2-4-13(7-11)20-17(24)10-21-18(25)16(29-19(21)26)9-12-5-6-15(23)14(8-12)22(27)28/h2-9,23H,10H2,1H3,(H,20,24) |
| InChIKey | MNJOBZVDZSUCLN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[5-[(4-hydroxy-3-nitrophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]-N-(3-methylphenyl)acetamide (CHEBI:116787) is a nitrophenol (CHEBI:25562) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28239 | LINCS |