[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzoic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C22H13F3N2O7S MolecularWeight: 506.40803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H13F3N2O7S/c23-22(24,25)14-7-10-20(17(11-14)27(32)33)35-19-4-2-1-3-16(19)21(29)34-12-18(28)13-5-8-15(9-6-13)26(30)31/h1-11H,12H2