A1LWQ
Summary
| Name: | 3-(4-aminophenyl)-2-oxidanylidene-propanoic acid |
| Formula: | C9 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 179.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(4-aminophenyl)-2-oxidanylidene-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13) |
| InChIKey | InChI | 1.06 | HWDZIRSKXFAMFU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(CC(=O)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | Nc1ccc(CC(=O)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CC(=O)C(=O)O)N |
