2ZM
Summary
| Name: | 5-nitro-1H-benzimidazole |
| Formula: | C7 H5 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 163.133 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-nitro-1H-benzimidazole |
| OpenEye OEToolkits | 1.7.6 | 5-nitro-1H-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc2ncnc2cc1 |
| InChI | InChI | 1.03 | InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9) |
| InChIKey | InChI | 1.03 | XPAZGLFMMUODDK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc2[nH]cnc2c1 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc2[nH]cnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1[N+](=O)[O-])nc[nH]2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1[N+](=O)[O-])nc[nH]2 |
