JPB
Summary
| Name: | ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide |
| Formula: | C11 H7 Cl3 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 321.544 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | LBWIBZYKUVIBKH-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc(Cl)c(C(=O)N[C@H]2CC(=O)NC2=O)c(Cl)c1 |
| SMILES | CACTVS | 3.385 | Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Cl)C(=O)NC2CC(=O)NC2=O)Cl)Cl |
