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2AK

Summary
Name:7-bromo-5-methyl-1H-indole-2,3-dione
Formula:C9 H6 Br N O2
Formal charge:0
Formula weight:240.053 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-bromo-5-methyl-1H-indole-2,3-dione
OpenEye OEToolkits1.7.67-bromanyl-5-methyl-1H-indole-2,3-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1cc(cc2c1NC(=O)C2=O)C
InChIInChI1.03InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKeyInChI1.03NPDJRIGMWAQKTQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1cc(Br)c2NC(=O)C(=O)c2c1
SMILESCACTVS3.370Cc1cc(Br)c2NC(=O)C(=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc2c(c(c1)Br)NC(=O)C2=O
SMILESOpenEye OEToolkits1.7.6Cc1cc2c(c(c1)Br)NC(=O)C2=O

217705

PDB entries from 2024-03-27

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