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BPD

Summary
Name:N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
Formula:C21 H12 F3 N O5
Formal charge:0
Formula weight:415.319 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.0410-[3-(trifluoromethyl)phenyl]-10H-phenoxazine-4,6-dicarboxylic acid
OpenEye OEToolkits1.5.010-[3-(trifluoromethyl)phenyl]phenoxazine-4,6-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c4cc(N1c3c(Oc2c1cccc2C(=O)O)c(ccc3)C(=O)O)ccc4
SMILES_CANONICALCACTVS3.341OC(=O)c1cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)c4Oc12
SMILESCACTVS3.341OC(=O)c1cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)c4Oc12
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F
InChIInChI1.03InChI=1S/C21H12F3NO5/c22-21(23,24)11-4-1-5-12(10-11)25-15-8-2-6-13(19(26)27)17(15)30-18-14(20(28)29)7-3-9-16(18)25/h1-10H,(H,26,27)(H,28,29)
InChIKeyInChI1.03NQOOJFXBGLOGTC-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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