ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C24H15F3N2O8 MolecularWeight: 516.37971

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H15F3N2O8/c1-2-35-23(30)20-16-12-15(8-9-19(16)37-21(20)13-6-4-3-5-7-13)36-22-17(28(31)32)10-14(24(25,26)27)11-18(22)29(33)34/h3-12H,2H2,1H3