EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H16N2O4 |
| Net Charge | 0 |
| Average Mass | 360.369 |
| Monoisotopic Mass | 360.11101 |
| SMILES | O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1 |
| InChI | InChI=1S/C21H16N2O4/c24-20(14-5-2-1-3-6-14)22-16-7-4-8-17(12-16)23-21(25)15-9-10-18-19(11-15)27-13-26-18/h1-12H,13H2,(H,22,24)(H,23,25) |
| InChIKey | OCCIJDXNHRWVPF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide (CHEBI:116548) is a benzamides (CHEBI:22702) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28003 | LINCS |