KLW
Summary
| Name: | 2-carbamoylbenzoic acid |
| Formula: | C8 H7 N O3 |
| Formal charge: | 0 |
| Formula weight: | 165.146 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-carbamoylbenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-aminocarbonylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO3/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H2,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | CYMRPDYINXWJFU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1ccccc1C(O)=O |
| SMILES | CACTVS | 3.370 | NC(=O)c1ccccc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)N)C(=O)O |
