2HU
Summary
| Name: | 5-nitro-1H-indole |
| Formula: | C8 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 162.145 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-nitro-1H-indole |
| OpenEye OEToolkits | 1.7.6 | 5-nitro-1H-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc2c(cc1)ncc2 |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-5,9H |
| InChIKey | InChI | 1.03 | OZFPSOBLQZPIAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc2[nH]ccc2c1 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc2[nH]ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc[nH]2)cc1[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc[nH]2)cc1[N+](=O)[O-] |
