S2X
Summary
| Name: | 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid |
| Formula: | C14 H12 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 272.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O4/c1-8(17)16-10-2-3-13(18)11(7-10)12-6-9(14(19)20)4-5-15-12/h2-7,18H,1H3,(H,16,17)(H,19,20) |
| InChIKey | InChI | 1.03 | KWHVUGFDWSYWJF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O |
