EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N2O4 |
| Net Charge | 0 |
| Average Mass | 314.341 |
| Monoisotopic Mass | 314.12666 |
| SMILES | CCOC(=O)NC1(NCc2ccccc2)Oc2ccccc2O1 |
| InChI | InChI=1S/C17H18N2O4/c1-2-21-16(20)19-17(18-12-13-8-4-3-5-9-13)22-14-10-6-7-11-15(14)23-17/h3-11,18H,2,12H2,1H3,(H,19,20) |
| InChIKey | OVBADZUBJQQZFR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester (CHEBI:114891) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26354 | LINCS |