EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H15N3O3 |
| Net Charge | 0 |
| Average Mass | 249.270 |
| Monoisotopic Mass | 249.11134 |
| SMILES | O=C(CN1CCCC1)Nc1ccc([N+](=O)[O-])cc1 |
| InChI | InChI=1S/C12H15N3O3/c16-12(9-14-7-1-2-8-14)13-10-3-5-11(6-4-10)15(17)18/h3-6H,1-2,7-9H2,(H,13,16) |
| InChIKey | GSTWJGHEEBKDPK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(4-nitrophenyl)-2-(1-pyrrolidinyl)acetamide (CHEBI:107245) is a amino acid amide (CHEBI:22475) |
| Manual Xrefs | Databases |
|---|---|
| LSM-18599 | LINCS |