A1HZ5
Summary
| Name: | 4-chloranyl-2-[2-(3-iodanylphenoxy)ethanoylamino]benzoic acid |
| Formula: | C15 H11 Cl I N O4 |
| Formal charge: | 0 |
| Formula weight: | 431.61 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-chloranyl-2-[2-(3-iodanylphenoxy)ethanoylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H11ClINO4/c16-9-4-5-12(15(20)21)13(6-9)18-14(19)8-22-11-3-1-2-10(17)7-11/h1-7H,8H2,(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.06 | BLZUECRUYVEGBF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Cl)cc1NC(=O)COc2cccc(I)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Cl)cc1NC(=O)COc2cccc(I)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)I)OCC(=O)Nc2cc(ccc2C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)I)OCC(=O)Nc2cc(ccc2C(=O)O)Cl |
