Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 0NX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H9NO2/c12-7-9-6-10(13-11-9)8-4-2-1-3-5-8/h1-6,12H,7H2
2 InChIKey InChI 1.03 BPAFLGGUEBMWRN-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OCc2noc(c1ccccc1)c2
4 SMILES CACTVS 3.370 OCc1cc(on1)c2ccccc2
5 SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2cc(no2)CO
6 Canonical SMILES CACTVS 3.370 OCc1cc(on1)c2ccccc2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc(cc1)c2cc(no2)CO