EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13ClN2O5 |
| Net Charge | 0 |
| Average Mass | 348.742 |
| Monoisotopic Mass | 348.05130 |
| SMILES | COC(=O)c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 |
| InChI | InChI=1S/C16H13ClN2O5/c1-9-11(4-3-5-14(9)19(22)23)15(20)18-13-8-10(16(21)24-2)6-7-12(13)17/h3-8H,1-2H3,(H,18,20) |
| InChIKey | MDLHXDJFBNRUMM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chloro-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester (CHEBI:112937) is a benzamides (CHEBI:22702) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24347 | LINCS |