A1EF8
Summary
| Name: | 6-nitro-1~{H}-indole |
| Formula: | C8 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 162.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-nitro-1~{H}-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H |
| InChIKey | InChI | 1.06 | PSWCIARYGITEOY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc2cc[nH]c2c1 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc2cc[nH]c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc[nH]2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc2c1cc[nH]2)[N+](=O)[O-] |
