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BRW

Summary
Name:6-BROMOINDIRUBIN-3'-OXIME
Synonyms:(3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
Formula:C16 H10 Br N3 O2
Formal charge:0
Formula weight:356.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z,3E)-6'-bromo-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime
OpenEye OEToolkits1.5.0(3Z)-6-bromo-3-[(3E)-3-hydroxyimino-1H-indol-2-ylidene]-1H-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Brc1ccc\2c(c1)NC(=O)C/2=C4\C(=N\O)\c3ccccc3N4
SMILES_CANONICALCACTVS3.341O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4cc(Br)ccc34
SMILESCACTVS3.341ON=C1C(Nc2ccccc12)=C3C(=O)Nc4cc(Br)ccc34
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2
InChIInChI1.03InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+
InChIKeyInChI1.03DDLZLOKCJHBUHD-WAVHTBQISA-N

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PDB entries from 2024-07-17

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