ZR6
Summary
| Name: | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid |
| Formula: | C11 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 220.225 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-3-(2-oxidanylideneimidazolidin-1-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(c1C)N1CCNC1=O |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15) |
| InChIKey | InChI | 1.06 | LBXZUEMSUVQWIJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(cccc1C(O)=O)N2CCNC2=O |
| SMILES | CACTVS | 3.385 | Cc1c(cccc1C(O)=O)N2CCNC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1N2CCNC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1N2CCNC2=O)C(=O)O |
