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JZV

Summary
Name:methyl (2E)-(methoxyimino)(2-{[({(1Z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate
Formula:C20 H19 F3 N2 O4
Formal charge:0
Formula weight:408.371 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1methyl (2E)-2-methoxyimino-2-[2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352CO\N=C(C(=O)OC)/c1ccccc1CO\N=C(C)/c2cccc(c2)C(F)(F)F
SMILESCACTVS3.352CON=C(C(=O)OC)c1ccccc1CON=C(C)c2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.0C/C(=N/OCc1ccccc1/C(=N\OC)/C(=O)OC)/c2cccc(c2)C(F)(F)F
SMILESOpenEye OEToolkits1.7.0CC(=NOCc1ccccc1C(=NOC)C(=O)OC)c2cccc(c2)C(F)(F)F
InChIInChI1.03InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13-,25-18+
InChIKeyInChI1.03ONCZDRURRATYFI-KEEMFBDKSA-N

218196

PDB entries from 2024-04-10

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