A1IAW
Summary
| Name: | 2-azanyl-3-ethoxy-benzoic acid |
| Synonyms: | 2-amino-3-ethoxybenzoic acid |
| Formula: | C9 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 181.189 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-3-ethoxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H11NO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5H,2,10H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.06 | XAMRRIIZJBMPND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cccc(C(O)=O)c1N |
| SMILES | CACTVS | 3.385 | CCOc1cccc(C(O)=O)c1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cccc(c1N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cccc(c1N)C(=O)O |
