(E)-4-(2-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-but-3-en-2-one

Systemtic Name: (E)-4-(2-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-but-3-en-2-one Openeye Name: (E)-4-(2-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-but-3-en-2-one CAS Name: (E)-4-(2-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-3-buten-2-one IUPAC Name: (E)-4-(2-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]sulfonylbut-3-en-2-one Traditional Name: (E)-4-(2-nitrophenyl)-3-[4-(trifluoromethyl)phenyl]sulfonyl-but-3-en-2-one Formula: C17H12F3NO5S MolecularWeight: 399.34109

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1[N+](=O)[O-])/S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H12F3NO5S/c1-11(22)16(10-12-4-2-3-5-15(12)21(23)24)27(25,26)14-8-6-13(7-9-14)17(18,19)20/h2-10H,1H3/b16-10+