JO8
Summary
| Name: | 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid |
| Formula: | C12 H11 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 277.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O5/c13-6-3-1-2-5(12(19)20)9(6)11(18)14-7-4-8(16)15-10(7)17/h1-3,7H,4,13H2,(H,14,18)(H,19,20)(H,15,16,17)/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | OHXATMBWWVLISO-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cccc(C(O)=O)c1C(=O)N[C@H]2CC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | Nc1cccc(C(O)=O)c1C(=O)N[CH]2CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)N)C(=O)NC2CC(=O)NC2=O)C(=O)O |
