JO5
Summary
| Name: | 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione |
| Formula: | C12 H9 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 259.218 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H9N3O4/c13-6-3-1-2-5-9(6)12(19)15(11(5)18)7-4-8(16)14-10(7)17/h1-3,7H,4,13H2,(H,14,16,17)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | MSHTVRYXGFREAN-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc2C(=O)N([C@H]3CC(=O)NC3=O)C(=O)c12 |
| SMILES | CACTVS | 3.385 | Nc1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)N)C(=O)N(C2=O)C3CC(=O)NC3=O |
