JHY
Summary
| Name: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID |
| Formula: | C10 H7 Cl2 N O4 |
| Formal charge: | 0 |
| Formula weight: | 276.073 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3-[5,6-bis(chloranyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15) |
| InChIKey | InChI | 1.03 | MIGAKMWKMLYGJX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCN1C(=O)Oc2cc(Cl)c(Cl)cc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCN1C(=O)Oc2cc(Cl)c(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O |
