SQG
Summary
| Name: | 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide |
| Formula: | C10 H7 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 244.17 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16) |
| InChIKey | InChI | 1.03 | RCYAMEKUNPRZAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)CC#N)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NC(=O)CC#N)OC(F)(F)F |
