8EQ
Summary
| Name: | 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
| Formula: | C12 H12 Cl N O5 |
| Formal charge: | 0 |
| Formula weight: | 285.68 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12ClNO5/c1-2-18-9-6-10-8(5-7(9)13)14(12(17)19-10)4-3-11(15)16/h5-6H,2-4H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | KPOKXAQERBEAHE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl |
| SMILES | CACTVS | 3.385 | CCOc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O |
