2XY
Summary
| Name: | N-[2-nitro-4-(trifluoromethyl)phenyl]morpholin-4-amine |
| Formula: | C11 H12 F3 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 291.226 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H12F3N3O3/c12-11(13,14)8-1-2-9(10(7-8)17(18)19)15-16-3-5-20-6-4-16/h1-2,7,15H,3-6H2 |
| InChIKey | InChI | 1.03 | XUPDNGHJBHPAKD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cc(ccc1NN2CCOCC2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cc(ccc1NN2CCOCC2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2 |
| SMILES | OpenEye OEToolkits | 1.7.5 | c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2 |
