JOB
Summary
| Name: | 5-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 | 5-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/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4,13H2,(H,14,16,17)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | ZQAUOFWDVHCTPN-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc2C(=O)N([C@H]3CC(=O)NC3=O)C(=O)c2c1 |
| SMILES | CACTVS | 3.385 | Nc1ccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1N)C(=O)N(C2=O)C3CC(=O)NC3=O |
