(2S)-3-(4-acetamidophenoxy)-2-methyl-N-[4-nitro-3-oxidanyl-5-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide

Systemtic Name: (2S)-3-(4-acetamidophenoxy)-2-methyl-N-[4-nitro-3-oxidanyl-5-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[3-hydroxy-4-nitro-5-(trifluoromethyl)phenyl]-2-methyl-propanamide CAS Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[3-hydroxy-4-nitro-5-(trifluoromethyl)phenyl]-2-methylpropanamide IUPAC Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[3-hydroxy-4-nitro-5-(trifluoromethyl)phenyl]-2-methylpropanamide Traditional Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-N-[3-hydroxy-4-nitro-5-(trifluoromethyl)phenyl]-2-methyl-propionamide Formula: C19H18F3N3O7 MolecularWeight: 457.35733

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C(=C2)C(F)(F)F)[N+](=O)[O-])O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C(=C2)C(F)(F)F)[N+](=O)[O-])O)O

InChI

InChI=1S/C19H18F3N3O7/c1-10(26)23-11-3-5-13(6-4-11)32-9-18(2,29)17(28)24-12-7-14(19(20,21)22)16(25(30)31)15(27)8-12/h3-8,27,29H,9H2,1-2H3,(H,23,26)(H,24,28)/t18-/m0/s1