JET
Summary
| Name: | [3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{H}-pyrazole-4-carboxylate |
| Formula: | C14 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 290.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{H}-pyrazole-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O5/c1-19-13(17)9-20-12-4-2-3-10(5-12)8-21-14(18)11-6-15-16-7-11/h2-7H,8-9H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | HARZTHMZNXIIKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)COc1cccc(COC(=O)c2c[nH]nc2)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)COc1cccc(COC(=O)c2c[nH]nc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2 |
