Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ORO    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
2 InChIKey InChI 1.03 PXQPEWDEAKTCGB-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(O)C1=CC(=O)NC(=O)N1
4 SMILES CACTVS 3.341 OC(=O)C1=CC(=O)NC(=O)N1
5 SMILES OpenEye OEToolkits 1.5.0 C1=C(NC(=O)NC1=O)C(=O)O
6 Canonical SMILES CACTVS 3.341 OC(=O)C1=CC(=O)NC(=O)N1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1=C(NC(=O)NC1=O)C(=O)O