2-(diethylsulfamoyloxy)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2-(diethylsulfamoyloxy)ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-(diethylsulfamoyloxy)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-(diethylsulfamoyloxy)ethyl ester IUPAC Name: 2-(diethylsulfamoyloxy)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-(diethylsulfamoyloxy)ethyl ester Formula: C20H20ClF3N2O8S MolecularWeight: 540.89461

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)OCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)OCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClF3N2O8S/c1-3-25(4-2)35(30,31)33-10-9-32-19(27)15-12-14(6-7-17(15)26(28)29)34-18-8-5-13(11-16(18)21)20(22,23)24/h5-8,11-12H,3-4,9-10H2,1-2H3