7NI
Summary
| Name: | 7-NITROINDAZOLE |
| Formula: | C7 H5 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 163.133 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 7-nitro-1H-indazole |
| OpenEye OEToolkits | 1.5.0 | 7-nitro-1H-indazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cccc2c1nnc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)c1cccc2cn[nH]c12 |
| SMILES | CACTVS | 3.341 | [O-][N+](=O)c1cccc2cn[nH]c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cn[nH]c2c(c1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cn[nH]c2c(c1)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9) |
| InChIKey | InChI | 1.03 | PQCAUHUKTBHUSA-UHFFFAOYSA-N |
