A1IZM
Summary
| Name: | [2,6-bis(fluoranyl)phenyl]-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone |
| Formula: | C13 H7 F2 N O5 |
| Formal charge: | 0 |
| Formula weight: | 295.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [2,6-bis(fluoranyl)phenyl]-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H7F2NO5/c14-7-2-1-3-8(15)11(7)12(18)6-4-9(16(20)21)13(19)10(17)5-6/h1-5,17,19H |
| InChIKey | InChI | 1.06 | IGCMBTUXZXDHQQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2c(F)cccc2F |
| SMILES | CACTVS | 3.385 | Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2c(F)cccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)F)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-])F |
