(E)-4-(4-methylsulfonylphenyl)-3-nitro-but-3-en-2-one

Systemtic Name: (E)-4-(4-methylsulfonylphenyl)-3-nitro-but-3-en-2-one Openeye Name: (E)-4-(4-methylsulfonylphenyl)-3-nitro-but-3-en-2-one CAS Name: (E)-4-(4-methylsulfonylphenyl)-3-nitro-3-buten-2-one IUPAC Name: (E)-4-(4-methylsulfonylphenyl)-3-nitrobut-3-en-2-one Traditional Name: (E)-4-(4-mesylphenyl)-3-nitro-but-3-en-2-one Formula: C11H11NO5S MolecularWeight: 269.27374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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