OBA
Summary
| Name: | 2-(OXALYL-AMINO)-BENZOIC ACID |
| Formula: | C9 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 209.156 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(carboxycarbonyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(carboxycarbonylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ccccc1C(=O)O)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Nc1ccccc1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Nc1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)C(=O)O)NC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | QBYNNSFEMMNINN-UHFFFAOYSA-N |
