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BRY

Summary
Name:(2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE
Formula:C16 H9 Br N2 O2
Formal charge:0
Formula weight:341.159 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z)-5'-bromo-2,3'-biindole-2',3(1H,1'H)-dione
OpenEye OEToolkits1.5.0(3Z)-5-bromo-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C/4c1ccccc1NC\4=C3/c2cc(Br)ccc2NC3=O
SMILES_CANONICALCACTVS3.341Brc1ccc2NC(=O)/C(=C/3Nc4ccccc4C/3=O)c2c1
SMILESCACTVS3.341Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=O)Br)/N2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)Br)N2
InChIInChI1.03InChI=1S/C16H9BrN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13-
InChIKeyInChI1.03IEQQJQHHJMQETK-YPKPFQOOSA-N

223532

PDB entries from 2024-08-07

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