8RK
Summary
| Name: | 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
| Formula: | C11 H10 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 255.654 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | QPMPFAMMRAXUAV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl |
| SMILES | CACTVS | 3.385 | Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O |
