(2-nitrophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: (2-nitrophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Openeye Name: (2-nitrophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate CAS Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate Traditional Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butyric acid (2-nitrobenzyl) ester Formula: C19H19F3N2O6S MolecularWeight: 460.42417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O6S/c1-12(2)17(18(25)30-11-13-6-3-4-9-16(13)24(26)27)23-31(28,29)15-8-5-7-14(10-15)19(20,21)22/h3-10,12,17,23H,11H2,1-2H3