EEK
Summary
| Name: | ~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide |
| Formula: | C9 H8 Cl2 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 263.077 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15) |
| InChIKey | InChI | 1.03 | ZGACHNBRFOETSO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl |
