JNW
Summary
| Name: | 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid |
| Formula: | C13 H12 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 276.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | QTUSGYNZYGYXIN-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)N[C@H]2CCC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)N[CH]2CCC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)NC2CCC(=O)NC2=O)C(=O)O |
