EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H18N4O6 |
| Net Charge | 0 |
| Average Mass | 422.397 |
| Monoisotopic Mass | 422.12263 |
| SMILES | Cc1cccc(NC(=O)COc2ccc(C=Cc3nc(=O)nc(=O)c3[N+](=O)[O-])cc2)c1 |
| InChI | InChI=1S/C21H18N4O6/c1-13-3-2-4-15(11-13)22-18(26)12-31-16-8-5-14(6-9-16)7-10-17-19(25(29)30)20(27)24-21(28)23-17/h2-11H,12H2,1H3,(H,22,26)(H2,23,24,27,28) |
| InChIKey | DRERXXIFEGSVDR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-methylphenyl)-2-[4-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetamide (CHEBI:116446) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27900 | LINCS |