Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZXZ    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H11NO/c1-8-7-11(13)12(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3
2 InChIKey InChI 1.03 CEONKCOBRZOYJS-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C2C=C(c1c(cccc1)N2C)C
4 SMILES CACTVS 3.370 CN1C(=O)C=C(C)c2ccccc12
5 SMILES OpenEye OEToolkits 1.7.0 CC1=CC(=O)N(c2c1cccc2)C
6 Canonical SMILES CACTVS 3.370 CN1C(=O)C=C(C)c2ccccc12
7 Canonical SMILES OpenEye OEToolkits 1.7.0 CC1=CC(=O)N(c2c1cccc2)C