Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc2c(cc(/C(c1ccccc1)=N\OCC(O)=O)cc2)Cl |
InChI | InChI | 1.03 | InChI=1S/C15H11Cl2NO3/c16-12-7-6-11(8-13(12)17)15(18-21-9-14(19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)/b18-15- |
InChIKey | InChI | 1.03 | MCSPXNMZLCEQOD-SDXDJHTJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CO\N=C(c1ccccc1)/c2ccc(Cl)c(Cl)c2 |
SMILES | CACTVS | 3.385 | OC(=O)CON=C(c1ccccc1)c2ccc(Cl)c(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)C(=NOCC(=O)O)c2ccc(c(c2)Cl)Cl |