ST3
Summary
| Name: | 4-(ACETYLAMINO)-3-AMINO BENZOIC ACID |
| Formula: | C9 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 194.187 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(acetylamino)-3-aminobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-acetamido-3-amino-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1cc(N)c(NC(=O)C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1N)C(O)=O |
| SMILES | CACTVS | 3.341 | CC(=O)Nc1ccc(cc1N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Nc1ccc(cc1N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2O3/c1-5(12)11-8-3-2-6(9(13)14)4-7(8)10/h2-4H,10H2,1H3,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | MJMLUICFHWSBQZ-UHFFFAOYSA-N |
