Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c2c1c(cccc1)c(cc2)N4C(=O)C5C3CCC(CC3)C5C4=O |
SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)c1ccc(N2C(=O)[C@H]3C4CCC(CC4)[C@H]3C2=O)c5ccccc15 |
SMILES | CACTVS | 3.341 | [O-][N+](=O)c1ccc(N2C(=O)[CH]3C4CCC(CC4)[CH]3C2=O)c5ccccc15 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)C4C5CCC(C4C3=O)CC5 |
InChI | InChI | 1.03 | InChI=1S/C20H18N2O4/c23-19-17-11-5-6-12(8-7-11)18(17)20(24)21(19)15-9-10-16(22(25)26)14-4-2-1-3-13(14)15/h1-4,9-12,17-18H,5-8H2/t11-,12+,17-,18+ |
InChIKey | InChI | 1.03 | DEJXHCDDTLTVNB-FRVJLOGJSA-N |