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J72

Summary
Name:(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime
Formula:C17 H12 F2 N2 O4
Formal charge:0
Formula weight:346.285 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime
OpenEye OEToolkits1.5.0(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-hydroxyimino-indol-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cc\2c(cc1)N(C(=O)C/2=N\O)Cc4cc(F)cc3c4OCOC3
SMILES_CANONICALCACTVS3.341O/N=C1/C(=O)N(Cc2cc(F)cc3COCOc23)c4ccc(F)cc14
SMILESCACTVS3.341ON=C1C(=O)N(Cc2cc(F)cc3COCOc23)c4ccc(F)cc14
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1F)/C(=N\O)/C(=O)N2Cc3cc(cc4c3OCOC4)F
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1F)C(=NO)C(=O)N2Cc3cc(cc4c3OCOC4)F
InChIInChI1.03InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+
InChIKeyInChI1.03DXIHOIDYHQSQKJ-HMMYKYKNSA-N

224201

PDB entries from 2024-08-28

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