EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H10N4O4 |
| Net Charge | 0 |
| Average Mass | 286.247 |
| Monoisotopic Mass | 286.07020 |
| SMILES | O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccccn1 |
| InChI | InChI=1S/C13H10N4O4/c18-12(9-5-1-2-7-11(9)17(20)21)15-16-13(19)10-6-3-4-8-14-10/h1-8H,(H,15,18)(H,16,19) |
| InChIKey | PIBAUNUWYKCFCJ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N'-[(2-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide (CHEBI:109050) is a aromatic carboxylic acid (CHEBI:33859) |
| N'-[(2-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide (CHEBI:109050) is a pyridinemonocarboxylic acid (CHEBI:26420) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20448 | LINCS |