Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc2ccc(NC(=O)c1ccc(O)c([N+]([O-])=O)c1)cc2)c3ncccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26) |
InChIKey | InChI | 1.03 | QFXQBOSIGGGQEW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2 |
SMILES | CACTVS | 3.370 | Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O |