Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : NPO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
2 InChIKey InChI 1.03 BTJIUGUIPKRLHP-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=[N+]([O-])c1ccc(O)cc1
4 SMILES CACTVS 3.341 Oc1ccc(cc1)[N+]([O-])=O
5 SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1[N+](=O)[O-])O
6 Canonical SMILES CACTVS 3.341 Oc1ccc(cc1)[N+]([O-])=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1[N+](=O)[O-])O