| PDB CCD ID: | JOB |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C12 H9 N3 O4 |
| InChI: | 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: | ZQAUOFWDVHCTPN-QMMMGPOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O | | CACTVS 3.385 | Nc1ccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c2c1 | | CACTVS 3.385 | Nc1ccc2C(=O)N([C@H]3CC(=O)NC3=O)C(=O)c2c1 | | OpenEye OEToolkits 2.0.7 | c1cc2c(cc1N)C(=O)N(C2=O)C3CC(=O)NC3=O |
|
| Name: | 5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione |
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