A1CI3
Summary
| Name: | (6M)-6-(2-ethylphenyl)-3,4-dihydroxypyridine-2-carboxylic acid |
| Formula: | C14 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 259.257 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (6M)-6-(2-ethylphenyl)-3,4-dihydroxypyridine-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 6-(2-ethylphenyl)-3,4-bis(oxidanyl)pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1c(O)cc(nc1C(O)=O)c1ccccc1CC |
| InChI | InChI | 1.06 | InChI=1S/C14H13NO4/c1-2-8-5-3-4-6-9(8)10-7-11(16)13(17)12(15-10)14(18)19/h3-7,17H,2H2,1H3,(H,15,16)(H,18,19) |
| InChIKey | InChI | 1.06 | ZVOTZBNDSAQIRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccccc1c2cc(O)c(O)c(n2)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1ccccc1c2cc(O)c(O)c(n2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1ccccc1c2cc(c(c(n2)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1ccccc1c2cc(c(c(n2)C(=O)O)O)O |
