2ZQ
Summary
| Name: | 8-nitroquinoline |
| Formula: | C9 H6 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 174.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 8-nitroquinoline |
| OpenEye OEToolkits | 1.7.6 | 8-nitroquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cccc2cccnc12 |
| InChI | InChI | 1.03 | InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H |
| InChIKey | InChI | 1.03 | OQHHSGRZCKGLCY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cccc2cccnc12 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cccc2cccnc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2cccnc2c(c1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2cccnc2c(c1)[N+](=O)[O-] |
