OXI
Summary
| Name: | OXOLINIC ACID |
| Formula: | C13 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 261.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c3c(N(C=C1C(=O)O)CC)cc2OCOc2c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12 |
| SMILES | CACTVS | 3.341 | CCN1C=C(C(O)=O)C(=O)c2cc3OCOc3cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17) |
| InChIKey | InChI | 1.03 | KYGZCKSPAKDVKC-UHFFFAOYSA-N |
