7ZE
Summary
| Name: | 5-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 | 5-nitroquinoline |
| OpenEye OEToolkits | 1.7.6 | 5-nitroquinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cccc2ncccc12 |
| InChI | InChI | 1.03 | InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H |
| InChIKey | InChI | 1.03 | NDDZXHOCOKCNBM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cccc2ncccc12 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cccc2ncccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cccn2)c(c1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cccn2)c(c1)[N+](=O)[O-] |
