Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : E92    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
2 InChIKey InChI 1.03 CVLFPXGWUQAEEW-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
4 SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl
5 Canonical SMILES CACTVS 3.385 Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
6 Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl