EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:115711 - 2-nitrobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester
| Formula | C17H15NO5 |
| Net Charge | 0 |
| Average Mass | 313.309 |
| Monoisotopic Mass | 313.09502 |
| SMILES | Cc1ccc(C(=O)C(C)OC(=O)c2ccccc2[N+](=O)[O-])cc1 |
| InChI | InChI=1S/C17H15NO5/c1-11-7-9-13(10-8-11)16(19)12(2)23-17(20)14-5-3-4-6-15(14)18(21)22/h3-10,12H,1-2H3 |
| InChIKey | WCXWRQHRYBYAMT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-nitrobenzoic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester (CHEBI:115711) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27168 | LINCS |