Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc3cccc(c2c1c(cccc1)[n+]([O-])c(c2)C)c3)C |
InChI | InChI | 1.03 | InChI=1S/C18H16N2O2/c1-12-10-17(16-8-3-4-9-18(16)20(12)22)14-6-5-7-15(11-14)19-13(2)21/h3-11H,1-2H3,(H,19,21) |
InChIKey | InChI | 1.03 | YSGOTUAMXVUKOD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)c2cc(C)[n+]([O-])c3ccccc23 |
SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)c2cc(C)[n+]([O-])c3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C |