Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : EEK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C9H8Cl2N2O3/c10-6-2-1-5(3-7(6)11)12-8(14)4-9(15)13-16/h1-3,16H,4H2,(H,12,14)(H,13,15)
2 InChIKey InChI 1.03 ZGACHNBRFOETSO-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
4 SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl
5 Canonical SMILES CACTVS 3.385 ONC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl