FGN
Summary
| Name: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide |
| Formula: | C16 H13 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 338.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H13Cl2NO3/c17-13-5-3-6-14(18)12(13)10-22-15-7-2-1-4-11(15)8-9-16(20)19-21/h1-9,21H,10H2,(H,19,20)/b9-8+ |
| InChIKey | InChI | 1.03 | YTQRIEFQVODUBZ-CMDGGOBGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ONC(=O)\C=C\c1ccccc1OCc2c(Cl)cccc2Cl |
| SMILES | CACTVS | 3.385 | ONC(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)C=CC(=O)NO)OCc2c(cccc2Cl)Cl |
