Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1c(C#N)cc2c(c1)NC(=O)C(=O)N2 |
SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N |
SMILES | CACTVS | 3.341 | [O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])C#N |
InChI | InChI | 1.03 | InChI=1S/C9H4N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,(H,11,14)(H,12,15) |
InChIKey | InChI | 1.03 | RPXVIAFEQBNEAX-UHFFFAOYSA-N |