Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c1cc(ccc1Cl)[N+]([O-])=O)Nc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2 |
SMILES | CACTVS | 3.341 | [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] |
InChI | InChI | 1.03 | InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17) |
InChIKey | InChI | 1.03 | DNTSIBUQMRRYIU-UHFFFAOYSA-N |