CZM

'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE'

Created: 2003-01-30
Last modified:  2021-03-13

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count18
2D diagram of CZM

Chemical Component Summary

Name'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE'
Synonyms3,3'-ME2-SALOPHEN
Systematic Name (OpenEye OEToolkits)2-[(E)-[2-[(2-hydroxy-3-methyl-phenyl)methylideneamino]phenyl]iminomethyl]-6-methyl-phenol
FormulaC22 H20 N2 O2
Molecular Weight344.406
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc3c(/C=N/c2ccccc2/N=C/c1cccc(c1O)C)cccc3C
SMILESCACTVS3.341Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O
SMILESOpenEye OEToolkits1.5.0Cc1cccc(c1O)C=Nc2ccccc2N=Cc3cccc(c3O)C
Canonical SMILESCACTVS3.341 Cc1cccc(C=Nc2ccccc2N=Cc3cccc(C)c3O)c1O
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1cccc(c1O)\C=N\c2ccccc2/N=C/c3cccc(c3O)C
InChIInChI1.03 InChI=1S/C22H20N2O2/c1-15-7-5-9-17(21(15)25)13-23-19-11-3-4-12-20(19)24-14-18-10-6-8-16(2)22(18)26/h3-14,25-26H,1-2H3/b23-13+,24-14+
InChIKeyInChI1.03 DNVUYVBRNCWGAK-RNIAWFEPSA-N

Related Resource References

Resource NameReference
CCDC/CSD JEVREI
COD 2212163