Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2C(\c1ccccc1N2)=C4\C(=N\O)\c3ccccc3N4 |
SMILES_CANONICAL | CACTVS | 3.341 | O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4ccccc34 |
SMILES | CACTVS | 3.341 | ON=C1C(Nc2ccccc12)=C3C(=O)Nc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=C3C(=NO)c4ccccc4N3)C(=O)N2 |
InChI | InChI | 1.03 | InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ |
InChIKey | InChI | 1.03 | HBDSHCUSXQATPO-BGBJRWHRSA-N |