A1DBJ
Summary
| Name: | 1-methyl-4-nitro-1H-imidazole |
| Formula: | C4 H5 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 127.101 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-methyl-4-nitro-1H-imidazole |
| OpenEye OEToolkits | 3.1.0.0 | 1-methyl-4-nitro-imidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O-][N+](=O)c1cn(C)cn1 |
| InChI | InChI | 1.06 | InChI=1S/C4H5N3O2/c1-6-2-4(5-3-6)7(8)9/h2-3H,1H3 |
| InChIKey | InChI | 1.06 | HSCOLDQJZRZQMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cnc(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cn1cnc(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(nc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cn1cc(nc1)[N+](=O)[O-] |
