EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H26N2O4 |
| Net Charge | 0 |
| Average Mass | 334.416 |
| Monoisotopic Mass | 334.18926 |
| SMILES | CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 |
| InChI | InChI=1S/C18H26N2O4/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23/h7-10H,3-6,11-14H2,1-2H3 |
| InChIKey | NSHMVLOWOAQFTP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(4-nitrophenyl)-1-cyclopentanecarboxylic acid 2-(diethylamino)ethyl ester (CHEBI:92501) is a C-nitro compound (CHEBI:35716) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2626 | LINCS |