JYR
Summary
| Name: | methyl 3-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1-benzothiophene-2-carboxylate |
| Formula: | C10 H7 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 253.231 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 5-nitro-3-oxidanyl-1-benzothiophene-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H7NO5S/c1-16-10(13)9-8(12)6-4-5(11(14)15)2-3-7(6)17-9/h2-4,12H,1H3 |
| InChIKey | InChI | 1.06 | GYYAQCMJASDSIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1sc2ccc(cc2c1O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | COC(=O)c1sc2ccc(cc2c1O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c(c2cc(ccc2s1)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1c(c2cc(ccc2s1)[N+](=O)[O-])O |
