ZR3
Summary
| Name: | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid |
| Formula: | C10 H9 Cl N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 240.643 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-5-(2-oxidanylideneimidazolidin-1-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccc1Cl)N1CCNC1=O |
| InChI | InChI | 1.06 | InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15) |
| InChIKey | InChI | 1.06 | RYLWJXSPVCHJTQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1Cl)N2CCNC2=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1Cl)N2CCNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2CCNC2=O)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N2CCNC2=O)C(=O)O)Cl |
