JGS
Summary
| Name: | 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid |
| Formula: | C11 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 232.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid |
| OpenEye OEToolkits | 2.0.6 | 3-(1,2-oxazol-5-ylcarbonylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(oncc1)C(Nc2cc(C(O)=O)ccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2O4/c14-10(9-4-5-12-17-9)13-8-3-1-2-7(6-8)11(15)16/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | QBMMJAQLERTXMD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(NC(=O)c2oncc2)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(NC(=O)c2oncc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O |
