Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc(c(OC)cc1N(C)C)C(=O)NCC2N(CC)CCC2 |
InChI | InChI | 1.03 | InChI=1S/C17H26N4O4/c1-5-20-8-6-7-12(20)11-18-17(22)13-9-15(21(23)24)14(19(2)3)10-16(13)25-4/h9-10,12H,5-8,11H2,1-4H3,(H,18,22)/t12-/m1/s1 |
InChIKey | InChI | 1.03 | AFNPLUMDSLEAPD-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+]([O-])=O |
SMILES | CACTVS | 3.385 | CCN1CCC[CH]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.9.2 | CCN1CCCC1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-] |