EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H13N5O4 |
| Net Charge | 0 |
| Average Mass | 303.278 |
| Monoisotopic Mass | 303.09675 |
| SMILES | CC(=NNC(=O)Cc1cc(=O)nn1)c1ccc([N+](=O)[O-])cc1 |
| InChI | InChI=1S/C13H13N5O4/c1-8(9-2-4-11(5-3-9)18(21)22)14-16-12(19)6-10-7-13(20)17-15-10/h2-5,7H,6H2,1H3,(H,16,19)(H2,15,17,20) |
| InChIKey | SVNGKQKCQKQFIE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[1-(4-nitrophenyl)ethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide (CHEBI:120049) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31492 | LINCS |