A1CPU
Summary
| Name: | 5-bromo-2-carbamamidobenzoic acid |
| Formula: | C8 H7 Br N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 259.057 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-bromo-2-carbamamidobenzoic acid |
| OpenEye OEToolkits | 3.1.0.0 | 2-(aminocarbonylamino)-5-bromanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Brc1cc(c(NC(N)=O)cc1)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H7BrN2O3/c9-4-1-2-6(11-8(10)14)5(3-4)7(12)13/h1-3H,(H,12,13)(H3,10,11,14) |
| InChIKey | InChI | 1.06 | GDBBPPGNIRGLGX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)Nc1ccc(Br)cc1C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)Nc1ccc(Br)cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1Br)C(=O)O)NC(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1Br)C(=O)O)NC(=O)N |
