Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : VYZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C8H8N2O3/c1-6(11)9-7-2-4-8(5-3-7)10(12)13/h2-5H,1H3,(H,9,11)
2 InChIKey InChI 1.06 NQRLPDFELNCFHW-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(C)Nc1ccc(cc1)N(=O)=O
4 SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)[N](=O)=O
5 SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)N(=O)=O
6 Canonical SMILES CACTVS 3.385 CC(=O)Nc1ccc(cc1)[N](=O)=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)N(=O)=O