Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : YE6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H9ClN2O2/c12-8-4-2-1-3-7(8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15)
2 InChIKey InChI 1.03 XQMRHWSGTVEDFG-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(c2oc(c1c(Cl)cccc1)cc2)NN
4 SMILES CACTVS 3.341 NNC(=O)c1oc(cc1)c2ccccc2Cl
5 SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl
6 Canonical SMILES CACTVS 3.341 NNC(=O)c1oc(cc1)c2ccccc2Cl
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl