Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ncc(cc1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2ccc(Cl)nc2)[N+]([O-])=O |
SMILES | CACTVS | 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2ccc(Cl)nc2)[N+]([O-])=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C13H10Cl2N4O3/c14-9-4-10(8(13(16)20)3-11(9)19(21)22)17-5-7-1-2-12(15)18-6-7/h1-4,6,17H,5H2,(H2,16,20) |
InChIKey | InChI | 1.03 | JGCFEPVKTSZCHG-UHFFFAOYSA-N |