2-methyl-3-(4-nitrophenyl)sulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide

Systemtic Name: 2-methyl-3-(4-nitrophenyl)sulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 2-hydroxy-2-methyl-3-(4-nitrophenyl)sulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-hydroxy-2-methyl-3-[(4-nitrophenyl)thio]-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-hydroxy-2-methyl-3-(4-nitrophenyl)sulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-hydroxy-2-methyl-3-[(4-nitrophenyl)thio]-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C17H14F3N3O6S MolecularWeight: 445.36977

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC(CSC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C17H14F3N3O6S/c1-16(25,9-30-12-5-3-11(4-6-12)22(26)27)15(24)21-10-2-7-14(23(28)29)13(8-10)17(18,19)20/h2-8,25H,9H2,1H3,(H,21,24)