(E)-3-methylsulfonyl-4-(2-nitrophenyl)but-3-en-2-one

Systemtic Name: (E)-3-methylsulfonyl-4-(2-nitrophenyl)but-3-en-2-one Openeye Name: (E)-3-methylsulfonyl-4-(2-nitrophenyl)but-3-en-2-one CAS Name: (E)-3-methylsulfonyl-4-(2-nitrophenyl)-3-buten-2-one IUPAC Name: (E)-3-methylsulfonyl-4-(2-nitrophenyl)but-3-en-2-one Traditional Name: (E)-3-mesyl-4-(2-nitrophenyl)but-3-en-2-one Formula: C11H11NO5S MolecularWeight: 269.27374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO5S/c1-8(13)11(18(2,16)17)7-9-5-3-4-6-10(9)12(14)15/h3-7H,1-2H3/b11-7+