XQU
Summary
| Name: | nitrosochloramphenicol |
| Synonyms: | 2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide |
| Formula: | C11 H14 Cl2 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 309.146 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R},2~{R})-1,3-bis(oxidanyl)-1-[4-(oxidanylamino)phenyl]propan-2-yl]-2,2-bis(chloranyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl |
| InChI | InChI | 1.06 | InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | BLAGYAGCQKHABH-RKDXNWHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(NO)cc1 |
| SMILES | CACTVS | 3.385 | OC[CH](NC(=O)C(Cl)Cl)[CH](O)c1ccc(NO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)NO |
