EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H21N3O4 |
| Net Charge | 0 |
| Average Mass | 295.339 |
| Monoisotopic Mass | 295.15321 |
| SMILES | COc1cc(CN2CCCN(C)CC2)cc([N+](=O)[O-])c1O |
| InChI | InChI=1S/C14H21N3O4/c1-15-4-3-5-16(7-6-15)10-11-8-12(17(19)20)14(18)13(9-11)21-2/h8-9,18H,3-7,10H2,1-2H3 |
| InChIKey | ULYUWBYPEDDMBQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol (CHEBI:108271) is a C-nitro compound (CHEBI:35716) |
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol (CHEBI:108271) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19648 | LINCS |