5QA
Summary
| Name: | ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide |
| Formula: | C9 H9 Cl2 N O2 |
| Formal charge: | 0 |
| Formula weight: | 234.079 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9Cl2NO2/c10-7-2-1-3-8(11)6(7)4-12-9(14)5-13/h1-3,13H,4-5H2,(H,12,14) |
| InChIKey | InChI | 1.03 | OANNQEVHRXLEDB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCC(=O)NCc1c(Cl)cccc1Cl |
| SMILES | CACTVS | 3.385 | OCC(=O)NCc1c(Cl)cccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(c(c(c1)Cl)CNC(=O)CO)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(c(c(c1)Cl)CNC(=O)CO)Cl |
