Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O\N=C\c1cc[n+](cc1)COC[n+]2ccc(\C=N\O)cc2 |
SMILES_CANONICAL | CACTVS | 3.341 | O\N=C\c1cc[n+](COC[n+]2ccc(cc2)\C=N\O)cc1 |
SMILES | CACTVS | 3.341 | ON=Cc1cc[n+](COC[n+]2ccc(cc2)C=NO)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c[n+](ccc1C=NO)COC[n+]2ccc(cc2)C=NO |
InChI | InChI | 1.03 | InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2 |
InChIKey | InChI | 1.03 | HIGRLDNHDGYWQJ-UHFFFAOYSA-P |