Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2ccc3c1ccc(cc1C(\c3c2)=N/OCC(O)=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H9Cl2NO3/c16-8-1-3-10-11-4-2-9(17)6-13(11)15(12(10)5-8)18-21-7-14(19)20/h1-6H,7H2,(H,19,20) |
InChIKey | InChI | 1.03 | BZMUZKQLRPSKDP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CON=C1c2cc(Cl)ccc2c3ccc(Cl)cc13 |
SMILES | CACTVS | 3.385 | OC(=O)CON=C1c2cc(Cl)ccc2c3ccc(Cl)cc13 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl |