Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cccc(c1)n2nc(c(c2C)C(=O)OCC)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)c1c(C)nn(c1C)c2cccc(c2)[N+]([O-])=O |
SMILES | CACTVS | 3.341 | CCOC(=O)c1c(C)nn(c1C)c2cccc(c2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C |
InChI | InChI | 1.03 | InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3 |
InChIKey | InChI | 1.03 | MSYGAHOHLUJIKV-UHFFFAOYSA-N |