E0Q
Summary
| Name: | 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid |
| Formula: | C12 H12 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 269.681 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H12ClNO4/c1-6-3-8-12(7(2)11(6)13)14(4-10(16)17)9(15)5-18-8/h3H,4-5H2,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.03 | SUZXIGFIHWADFB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc2OCC(=O)N(CC(O)=O)c2c(C)c1Cl |
| SMILES | CACTVS | 3.385 | Cc1cc2OCC(=O)N(CC(O)=O)c2c(C)c1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc2c(c(c1Cl)C)N(C(=O)CO2)CC(=O)O |
