Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C([N+]3=CC=2C(=N/C(=O)c1ccccc1)\N=NC=2C3)C |
InChI | InChI | 1.03 | InChI=1S/C14H11N4O2/c1-9(19)18-7-11-12(8-18)16-17-13(11)15-14(20)10-5-3-2-4-6-10/h2-7H,8H2,1H3/q+1/b15-13+ |
InChIKey | InChI | 1.03 | SWJVFMCHEFMLDD-FYWRMAATSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)[N+]1=CC2=C(C1)N=NC2=NC(=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | CC(=O)[N+]1=CC2=C(C1)N=NC2=NC(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC(=O)[N+]1=CC\2=C(C1)N=N/C2=N/C(=O)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.5 | CC(=O)[N+]1=CC2=C(C1)N=NC2=NC(=O)c3ccccc3 |