JTA
Summary
| Name: | 4-hydroxy-8-nitroquinoline-3-carboxylic acid |
| Formula: | C10 H6 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 234.165 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-8-nitroquinoline-3-carboxylic acid |
| OpenEye OEToolkits | 2.0.6 | 8-nitro-4-oxidanyl-quinoline-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2cc(c1c(c(c(C(O)=O)cn1)O)c2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15) |
| InChIKey | InChI | 1.03 | BMIZBCVEHSUUNO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cnc2c(cccc2[N+]([O-])=O)c1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cnc2c(cccc2[N+]([O-])=O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O |
