EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H16N2O3 |
| Net Charge | 0 |
| Average Mass | 272.304 |
| Monoisotopic Mass | 272.11609 |
| SMILES | COc1ccc2c(CN(C)CCC#N)cc(=O)oc2c1 |
| InChI | InChI=1S/C15H16N2O3/c1-17(7-3-6-16)10-11-8-15(18)20-14-9-12(19-2)4-5-13(11)14/h4-5,8-9H,3,7,10H2,1-2H3 |
| InChIKey | FMDMLXZPCLVWSQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-{[(7-Methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile (CHEBI:182697) is a coumarins (CHEBI:23403) |
| IUPAC Name |
|---|
| 3-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]propanenitrile |
| Manual Xrefs | Databases |
|---|---|
| 3520425 | ChemSpider |