U6Z
Summary
| Name: | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione |
| Synonyms: | Nitrofurantoin |
| Formula: | C8 H6 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 238.157 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[(~{E})-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+ |
| InChIKey | InChI | 1.03 | NXFQHRVNIOXGAQ-YCRREMRBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CN(/N=C/c2oc(cc2)[N](=O)=O)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CN(N=Cc2oc(cc2)[N](=O)=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(oc1C=NN2CC(=O)NC2=O)N(=O)=O |
