Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(cc1)C(N)=O)c1cc(ccc1Cl)[N+]([O-])=O |
InChI | InChI | 1.06 | InChI=1S/C14H10ClN3O4/c15-12-6-5-10(18(21)22)7-11(12)14(20)17-9-3-1-8(2-4-9)13(16)19/h1-7H,(H2,16,19)(H,17,20) |
InChIKey | InChI | 1.06 | KKGNLIYEFKWUEM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1 |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)N)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] |