diethyl 2-[5-[2-fluoranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyl-2-phenyl-propanedioate

Systemtic Name: diethyl 2-[5-[2-fluoranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyl-2-phenyl-propanedioate Openeye Name: diethyl 2-[5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]-2-phenyl-propanedioate CAS Name: 2-[[5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethyl]-2-phenylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]-2-phenylpropanedioate Traditional Name: 2-[5-[2-fluoro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]-2-phenyl-malonic acid diethyl ester Formula: C27H21F4NO8 MolecularWeight: 563.451153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21F4NO8/c1-3-38-24(34)26(25(35)39-4-2,16-8-6-5-7-9-16)23(33)19-15-18(11-12-21(19)32(36)37)40-22-13-10-17(14-20(22)28)27(29,30)31/h5-15H,3-4H2,1-2H3