VP9
Summary
| Name: | 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione |
| Formula: | C14 H13 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 303.27 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-7-methoxy-isoindole-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H13N3O5/c1-22-8-4-2-6(15)10-11(8)14(21)17(13(10)20)7-3-5-9(18)16-12(7)19/h2,4,7H,3,5,15H2,1H3,(H,16,18,19)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | JQKAGYPIPZUGHW-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(N)c2C(=O)N([C@H]3CCC(=O)NC3=O)C(=O)c12 |
| SMILES | CACTVS | 3.385 | COc1ccc(N)c2C(=O)N([CH]3CCC(=O)NC3=O)C(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1C(=O)N(C2=O)C3CCC(=O)NC3=O)N |
