A1JSY
Summary
| Name: | ~{N}-[2,4-bis(oxidanyl)phenyl]-2-[(2~{R})-5-oxidanylidenepyrrolidin-2-yl]ethanamide |
| Formula: | C12 H14 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 250.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2,4-bis(oxidanyl)phenyl]-2-[(2~{R})-5-oxidanylidenepyrrolidin-2-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N2O4/c15-8-2-3-9(10(16)6-8)14-12(18)5-7-1-4-11(17)13-7/h2-3,6-7,15-16H,1,4-5H2,(H,13,17)(H,14,18)/t7-/m1/s1 |
| InChIKey | InChI | 1.06 | GAXWKEGUYOUAPY-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(NC(=O)C[C@H]2CCC(=O)N2)c(O)c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(NC(=O)C[CH]2CCC(=O)N2)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1O)O)NC(=O)C[C@H]2CCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1O)O)NC(=O)CC2CCC(=O)N2 |
