Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [O-][N+](=O)C=1C(C#N)=CC2=NC(=O)C(=O)N=C2C=1 |
SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1C#N |
SMILES | CACTVS | 3.341 | [O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N |
SMILES | OpenEye OEToolkits | 1.5.0 | C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N |
InChI | InChI | 1.03 | InChI=1S/C9H2N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H |
InChIKey | InChI | 1.03 | IAWXTSMHXFRLQR-UHFFFAOYSA-N |