Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 |
SMILES | CACTVS | 3.370 | OC(=O)c1ccc2nc(oc2c1)c3cc(Cl)cc(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19) |
InChIKey | InChI | 1.03 | TXEIIPDJKFWEEC-UHFFFAOYSA-N |