ST5
Summary
| Name: | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID |
| Formula: | C11 H12 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 252.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(acetylamino)-3-[(hydroxyacetyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-acetamido-3-(2-hydroxyethanoylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1cc(ccc1NC(=O)C)C(=O)O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1NC(=O)CO)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1NC(=O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2O5/c1-6(15)12-8-3-2-7(11(17)18)4-9(8)13-10(16)5-14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16)(H,17,18) |
| InChIKey | InChI | 1.03 | CRHJDPGLFDNPOA-UHFFFAOYSA-N |
