1-[(E)-1-methylsulfonylprop-1-en-2-yl]-3-nitro-benzene

Systemtic Name: 1-[(E)-1-methylsulfonylprop-1-en-2-yl]-3-nitro-benzene Openeye Name: 1-[(E)-1-methyl-2-methylsulfonyl-vinyl]-3-nitro-benzene CAS Name: 1-[(E)-1-methylsulfonylprop-1-en-2-yl]-3-nitrobenzene IUPAC Name: 1-[(E)-1-methylsulfonylprop-1-en-2-yl]-3-nitrobenzene Traditional Name: 1-[(E)-2-mesyl-1-methyl-vinyl]-3-nitro-benzene Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c1-8(7-16(2,14)15)9-4-3-5-10(6-9)11(12)13/h3-7H,1-2H3/b8-7+