Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : 7UE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H8N2O2/c13-10(14)8-5-9(7-11-6-8)12-3-1-2-4-12/h1-7H,(H,13,14)
2 InChIKey InChI 1.03 MBHJQDUXANKYCO-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)c1cncc(c1)n2cccc2
4 SMILES OpenEye OEToolkits 2.0.7 c1ccn(c1)c2cc(cnc2)C(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)c1cncc(c1)n2cccc2
6 Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccn(c1)c2cc(cnc2)C(=O)O