Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2ccc(NCc1ncccc1)c(C(=O)N)c2 |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(ccc1NCc2ccccn2)[N+]([O-])=O |
SMILES | CACTVS | 3.370 | NC(=O)c1cc(ccc1NCc2ccccn2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18) |
InChIKey | InChI | 1.03 | WHRVUTPLBUMBMW-UHFFFAOYSA-N |