Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1BZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3
2 InChIKey InChI 1.03 AVLZAVSZOAQKRC-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1C=C(C=C(N1O)Cc2ccccc2)C
4 SMILES CACTVS 3.370 CC1=CC(=O)N(O)C(=C1)Cc2ccccc2
5 SMILES OpenEye OEToolkits 1.7.6 CC1=CC(=O)N(C(=C1)Cc2ccccc2)O
6 Canonical SMILES CACTVS 3.370 CC1=CC(=O)N(O)C(=C1)Cc2ccccc2
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CC1=CC(=O)N(C(=C1)Cc2ccccc2)O