Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0X2    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C12H8Cl2N2O2/c13-8-2-1-3-9(14)11(8)12(18)16-7-4-5-15-10(17)6-7/h1-3,5-6H,4H2,(H,16,18)
2 InChIKey InChI 1.03 HKIJJBMBTHKEPC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C2N=CCC(NC(=O)c1c(Cl)cccc1Cl)=C2
4 SMILES CACTVS 3.370 Clc1cccc(Cl)c1C(=O)NC2=CC(=O)N=CC2
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl
6 Canonical SMILES CACTVS 3.370 Clc1cccc(Cl)c1C(=O)NC2=CC(=O)N=CC2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl