E58
Summary
| Name: | (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate |
| Formula: | C14 H11 N O8 |
| Formal charge: | 0 |
| Formula weight: | 321.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2-methoxy-4-methoxycarbonyl-phenyl) 5-nitrofuran-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H11NO8/c1-20-11-7-8(13(16)21-2)3-4-9(11)23-14(17)10-5-6-12(22-10)15(18)19/h3-7H,1-2H3 |
| InChIKey | InChI | 1.03 | GPPPJBXPBOWUNP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(OC(=O)c2oc(cc2)[N+]([O-])=O)c(OC)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(OC(=O)c2oc(cc2)[N+]([O-])=O)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1OC(=O)c2ccc(o2)[N+](=O)[O-])C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1OC(=O)c2ccc(o2)[N+](=O)[O-])C(=O)OC |
