W1B
Summary
| Name: | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide |
| Formula: | C12 H13 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 263.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-azanyl-~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2-oxidanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H13N3O4/c13-6-1-2-7(9(16)5-6)11(18)14-8-3-4-10(17)15-12(8)19/h1-2,5,8,16H,3-4,13H2,(H,14,18)(H,15,17,19)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | IPUAAMOPTISHEC-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(c(O)c1)C(=O)N[C@H]2CCC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | Nc1ccc(c(O)c1)C(=O)N[CH]2CCC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)O)C(=O)N[C@H]2CCC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)O)C(=O)NC2CCC(=O)NC2=O |
