EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2O3 |
| Net Charge | 0 |
| Average Mass | 336.391 |
| Monoisotopic Mass | 336.14739 |
| SMILES | CCn1cc(C(c2ccccc2)C(C(C)=O)[N+](=O)[O-])c2ccccc21 |
| InChI | InChI=1S/C20H20N2O3/c1-3-21-13-17(16-11-7-8-12-18(16)21)19(15-9-5-4-6-10-15)20(14(2)23)22(24)25/h4-13,19-20H,3H2,1-2H3 |
| InChIKey | RSODEXWYNPXOMN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(1-ethyl-3-indolyl)-3-nitro-4-phenyl-2-butanone (CHEBI:116339) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27793 | LINCS |