2MN
Summary
| Name: | Metronidazole |
| Formula: | C6 H9 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 171.154 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethanol |
| OpenEye OEToolkits | 1.5.0 | 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cnc(n1CCO)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(n1CCO)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Cc1ncc(n1CCO)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ncc(n1CCO)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ncc(n1CCO)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
| InChIKey | InChI | 1.03 | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
