EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13N3O5 |
| Net Charge | 0 |
| Average Mass | 303.274 |
| Monoisotopic Mass | 303.08552 |
| SMILES | Cc1cccc(C(=O)O)c1N(Cn1cccn1)C(=O)C(=O)O |
| InChI | InChI=1S/C14H13N3O5/c1-9-4-2-5-10(13(19)20)11(9)17(12(18)14(21)22)8-16-7-3-6-15-16/h2-7H,8H2,1H3,(H,19,20)(H,21,22) |
| InChIKey | DFJUHFNLKWOTIZ-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) |
| Metazachlor BH479-12 (CHEBI:182564) is a amidobenzoic acid (CHEBI:48470) |
| IUPAC Name |
|---|
| 3-methyl-2-[oxalo(pyrazol-1-ylmethyl)amino]benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 71047188 | ChemSpider |