Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : P7V    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)
2 InChIKey InChI 1.03 KHPRTOQUGAUDCM-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 C(c2coc(c1ccc(Br)cc1)n2)(NO)=O
4 SMILES CACTVS 3.385 ONC(=O)c1coc(n1)c2ccc(Br)cc2
5 SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2nc(co2)C(=O)NO)Br
6 Canonical SMILES CACTVS 3.385 ONC(=O)c1coc(n1)c2ccc(Br)cc2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1c2nc(co2)C(=O)NO)Br