EPN
Summary
| Name: | 3-(4-NITRO-PHENOXY)-PROPAN-1-OL |
| Formula: | C9 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 197.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-nitrophenoxy)propan-1-ol |
| OpenEye OEToolkits | 1.5.0 | 3-(4-nitrophenoxy)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(OCCCO)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCCOc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OCCCOc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])OCCCO |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])OCCCO |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO4/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,11H,1,6-7H2 |
| InChIKey | InChI | 1.03 | XHRNQMMJGWBTBU-UHFFFAOYSA-N |
