F4U
Summary
| Name: | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione |
| Formula: | C13 H10 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 274.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | LJBQRRQTZUJWRC-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1O)C(=O)N(C2=O)C3CCC(=O)NC3=O |
