61M
Summary
| Name: | 3-(2-aminophenyl)-3-oxopropanoic acid |
| Synonyms: | 2-aminobenzoylacetate |
| Formula: | C9 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 179.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-aminophenyl)-3-oxopropanoic acid |
| OpenEye OEToolkits | 2.0.4 | 3-(2-aminophenyl)-3-oxidanylidene-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)C(c1ccccc1N)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO3/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4H,5,10H2,(H,12,13) |
| InChIKey | InChI | 1.03 | POAXUNDIOGWQOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccccc1C(=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | Nc1ccccc1C(=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)C(=O)CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(c(c1)C(=O)CC(=O)O)N |
