Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : BR8    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
2 InChIKey InChI 1.03 HNYOPLTXPVRDBG-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C1NC(=O)NC(=O)C1
4 SMILES CACTVS 3.385 O=C1CC(=O)NC(=O)N1
5 SMILES OpenEye OEToolkits 1.9.2 C1C(=O)NC(=O)NC1=O
6 Canonical SMILES CACTVS 3.385 O=C1CC(=O)NC(=O)N1
7 Canonical SMILES OpenEye OEToolkits 1.9.2 C1C(=O)NC(=O)NC1=O