A1JC6
Summary
| Name: | (~{E})-3-[3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| Formula: | C16 H10 F3 N O3 |
| Formal charge: | 1 |
| Formula weight: | 321.251 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-[3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H10F3NO3/c17-16(18,19)13-5-2-4-12(10-13)15(21)8-7-11-3-1-6-14(9-11)20(22)23/h1-10H/q+1/b8-7+ |
| InChIKey | InChI | 1.06 | GCEMMXIJRGJSRR-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)C(=O)\C=C\c2cccc(c2)[N+](=O)=O |
| SMILES | CACTVS | 3.385 | FC(F)(F)c1cccc(c1)C(=O)C=Cc2cccc(c2)[N+](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)[N+](=O)=O)/C=C/C(=O)c2cccc(c2)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)[N+](=O)=O)C=CC(=O)c2cccc(c2)C(F)(F)F |
