HGK
Summary
| Name: | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid |
| Formula: | C13 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 245.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO4/c15-12-8-11(5-6-14-12)18-10-3-1-9(2-4-10)7-13(16)17/h1-6H,7-8H2,(H,16,17) |
| InChIKey | InChI | 1.03 | WRCYZEFOPRPDCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccc(OC2=CC=NC(=O)C2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccc(OC2=CC=NC(=O)C2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2 |
