1VJ
Summary
| Name: | ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate |
| Formula: | C13 H13 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 291.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl {3-[(4-amino-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy}acetate |
| OpenEye OEToolkits | 1.9.2 | ethyl 2-[3-[(4-azanyl-1,2,5-oxadiazol-3-yl)carbonyl]phenoxy]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cccc(OCC(=O)OCC)c1)c2nonc2N |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O5/c1-2-19-10(17)7-20-9-5-3-4-8(6-9)12(18)11-13(14)16-21-15-11/h3-6H,2,7H2,1H3,(H2,14,16) |
| InChIKey | InChI | 1.03 | NZZKZVXNXRENSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)COc1cccc(c1)C(=O)c2nonc2N |
| SMILES | CACTVS | 3.385 | CCOC(=O)COc1cccc(c1)C(=O)c2nonc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N |
