(E)-4-(3-nitrophenyl)-3-(2-pyridin-2-ylethylsulfonyl)but-3-en-2-one

Systemtic Name: (E)-4-(3-nitrophenyl)-3-(2-pyridin-2-ylethylsulfonyl)but-3-en-2-one Openeye Name: (E)-4-(3-nitrophenyl)-3-[2-(2-pyridyl)ethylsulfonyl]but-3-en-2-one CAS Name: (E)-4-(3-nitrophenyl)-3-[2-(2-pyridinyl)ethylsulfonyl]-3-buten-2-one IUPAC Name: (E)-4-(3-nitrophenyl)-3-(2-pyridin-2-ylethylsulfonyl)but-3-en-2-one Traditional Name: (E)-4-(3-nitrophenyl)-3-[2-(2-pyridyl)ethylsulfonyl]but-3-en-2-one Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)CCC2=CC=CC=N2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/S(=O)(=O)CCC2=CC=CC=N2

InChI

InChI=1S/C17H16N2O5S/c1-13(20)17(12-14-5-4-7-16(11-14)19(21)22)25(23,24)10-8-15-6-2-3-9-18-15/h2-7,9,11-12H,8,10H2,1H3/b17-12+