YHX
Summary
| Name: | 4-NITROQUINOLINE 1-OXIDE |
| Formula: | C9 H6 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 190.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-nitroquinoline 1-oxide |
| OpenEye OEToolkits | 1.9.2 | 4-nitro-1-oxidanidyl-quinolin-1-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2c1c(cccc1)[n+]([O-])cc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H |
| InChIKey | InChI | 1.03 | YHQDZJICGQWFHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cc[n+]([O-])c2ccccc12 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cc[n+]([O-])c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(cc[n+]2[O-])[N+](=O)[O-] |
