ST2
Summary
| Name: | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID |
| Formula: | C9 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 210.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(acetylamino)-3-amino-5-hydroxybenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-acetamido-3-amino-5-hydroxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(O)c(NC(=O)C)c(c1)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1c(N)cc(cc1O)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1c(N)cc(cc1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1c(cc(cc1O)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1c(cc(cc1O)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O4/c1-4(12)11-8-6(10)2-5(9(14)15)3-7(8)13/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15) |
| InChIKey | InChI | 1.03 | CALDTVBHJMBRTM-UHFFFAOYSA-N |
