A1LZO
Summary
| Name: | 2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid |
| Formula: | C10 H10 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 254.196 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(3-nitro-4-oxidanyl-phenyl)ethanoylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H10N2O6/c13-8-2-1-6(3-7(8)12(17)18)4-9(14)11-5-10(15)16/h1-3,13H,4-5H2,(H,11,14)(H,15,16) |
| InChIKey | InChI | 1.06 | GTYVYDYXIPPDBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)Cc1ccc(O)c(c1)[N](=O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)Cc1ccc(O)c(c1)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)NCC(=O)O)N(=O)=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)NCC(=O)O)N(=O)=O)O |
