JNN
Summary
| Name: | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide |
| Formula: | C13 H11 Cl2 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 344.15 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20) |
| InChIKey | InChI | 1.03 | JFGOILLZIAIYGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1 |
| SMILES | CACTVS | 3.385 | ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl |
