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IW6

Summary
Name:2,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline
Formula:C16 H15 Br2 N O2
Formal charge:0
Formula weight:413.104 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.022,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline
OpenEye OEToolkits1.6.12,6-dibromo-4-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]aniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02Brc1cc(cc(Br)c1N)\C=C\c2c(OC)cccc2OC
SMILES_CANONICALCACTVS3.352COc1cccc(OC)c1\C=C\c2cc(Br)c(N)c(Br)c2
SMILESCACTVS3.352COc1cccc(OC)c1C=Cc2cc(Br)c(N)c(Br)c2
SMILES_CANONICALOpenEye OEToolkits1.7.0COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC
SMILESOpenEye OEToolkits1.7.0COc1cccc(c1C=Cc2cc(c(c(c2)Br)N)Br)OC
InChIInChI1.03InChI=1S/C16H15Br2NO2/c1-20-14-4-3-5-15(21-2)11(14)7-6-10-8-12(17)16(19)13(18)9-10/h3-9H,19H2,1-2H3/b7-6+
InChIKeyInChI1.03HGWBUXCGPMRHAS-VOTSOKGWSA-N

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PDB entries from 2024-07-10

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