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PXF

Summary
Name:2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-8-FLUORO-3-OXOPHENOXAZINE
Synonyms:8-FLUORO-PHENOXAZINE
Formula:C16 H11 F N2 O6
Formal charge:0
Formula weight:346.267 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-amino-8-fluoro-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde
OpenEye OEToolkits2.0.72-azanyl-8-fluoranyl-4,6-dimethyl-3-oxidanylidene-phenoxazine-1,9-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1(C=O)=C(N)C(=O)C(=C2Oc3c(cc(F)c(C=O)c3N=C12)C)C
InChIInChI1.06InChI=1S/C16H11FN2O6/c1-4-3-6(17)7(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3H,18H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyInChI1.06ICZZEXATIFONSA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(F)c(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
SMILESCACTVS3.385Cc1cc(F)c(C(O)=O)c2N=C3C(=C(C)C(=O)C(=C3C(O)=O)N)Oc12
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O)F
SMILESOpenEye OEToolkits2.0.7Cc1cc(c(c2c1OC3=C(C(=O)C(=C(C3=N2)C(=O)O)N)C)C(=O)O)F

223790

数据于2024-08-14公开中

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