(E)-2-methylsulfonyl-1-(2-nitrophenyl)pent-1-en-3-one

Systemtic Name: (E)-2-methylsulfonyl-1-(2-nitrophenyl)pent-1-en-3-one Openeye Name: (E)-2-methylsulfonyl-1-(2-nitrophenyl)pent-1-en-3-one CAS Name: (E)-2-methylsulfonyl-1-(2-nitrophenyl)-1-penten-3-one IUPAC Name: (E)-2-methylsulfonyl-1-(2-nitrophenyl)pent-1-en-3-one Traditional Name: (E)-2-mesyl-1-(2-nitrophenyl)pent-1-en-3-one Formula: C12H13NO5S MolecularWeight: 283.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5S/c1-3-11(14)12(19(2,17)18)8-9-6-4-5-7-10(9)13(15)16/h4-8H,3H2,1-2H3/b12-8+