VUE
Summary
| Name: | 2-(4-chloro-2-nitroanilino)ethan-1-ol |
| Formula: | C8 H9 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 216.622 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-(4-chloro-2-nitroanilino)ethan-1-ol |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(4-chloranyl-2-nitro-phenyl)amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc(c(NCCO)cc1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C8H9ClN2O3/c9-6-1-2-7(10-3-4-12)8(5-6)11(13)14/h1-2,5,10,12H,3-4H2 |
| InChIKey | InChI | 1.06 | LGGKGPQFSCBUOR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNc1ccc(Cl)cc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OCCNc1ccc(Cl)cc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1Cl)[N+](=O)[O-])NCCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1Cl)[N+](=O)[O-])NCCO |
