RPN
Summary
| Name: | (R)-1-PARA-NITRO-PHENYL-2-AZIDO-ETHANOL |
| Formula: | C8 H8 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 208.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R)-2-azido-1-(4-nitrophenyl)ethanol |
| OpenEye OEToolkits | 1.5.0 | (1R)-2-azido-1-(4-nitrophenyl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(cc1)C(O)C/N=[N+]=[N-] |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H](CN=[N+]=[N-])c1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | O[CH](CN=[N+]=[N-])c1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(CN=[N+]=[N-])O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C8H8N4O3/c9-11-10-5-8(13)6-1-3-7(4-2-6)12(14)15/h1-4,8,13H,5H2/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | DHEGJYKMZJGYGW-QMMMGPOBSA-N |
