Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | FC(F)(F)c2cc(c(n1ncc(C#N)c1N)cc2)[N+](=O)O |
SMILES_CANONICAL | CACTVS | 3.352 | Nc1n(ncc1C#N)c2ccc(cc2[N+](O)=O)C(F)(F)F |
SMILES | CACTVS | 3.352 | Nc1n(ncc1C#N)c2ccc(cc2[N+](O)=O)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N |
SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1C(F)(F)F)[N+](=O)O)n2c(c(cn2)C#N)N |
InChI | InChI | 1.03 | InChI=1S/C11H7F3N5O2/c12-11(13,14)7-1-2-8(9(3-7)19(20)21)18-10(16)6(4-15)5-17-18/h1-3,5H,16H2,(H,20,21)/q+1 |
InChIKey | InChI | 1.03 | XSUKDZBLRKXERL-UHFFFAOYSA-N |