Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : O0U    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)
2 InChIKey InChI 1.06 WFEBALYYDASKIV-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2
4 SMILES OpenEye OEToolkits 3.1.0.0 CCc1ccc(cc1)c2nc3cc(ccc3o2)NC(=O)c4cc(ccc4Cl)N(=O)=O
5 Canonical SMILES CACTVS 3.385 CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2
6 Canonical SMILES OpenEye OEToolkits 3.1.0.0 CCc1ccc(cc1)c2nc3cc(ccc3o2)NC(=O)c4cc(ccc4Cl)N(=O)=O