6EL
Summary
| Name: | 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione |
| Formula: | C13 H10 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 258.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | UEJJHQNACJXSKW-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O |
