[(E)-3-(4-methylsulfonyloxy-2-nitro-phenyl)prop-2-enyl] ethanoate

Systemtic Name: [(E)-3-(4-methylsulfonyloxy-2-nitro-phenyl)prop-2-enyl] ethanoate Openeye Name: [(E)-3-(4-methylsulfonyloxy-2-nitro-phenyl)allyl] acetate CAS Name: acetic acid [(E)-3-(4-methylsulfonyloxy-2-nitrophenyl)prop-2-enyl] ester IUPAC Name: [(E)-3-(4-methylsulfonyloxy-2-nitrophenyl)prop-2-enyl] acetate Traditional Name: acetic acid [(E)-3-(4-methylsulfonyloxy-2-nitro-phenyl)allyl] ester Formula: C12H13NO7S MolecularWeight: 315.29912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OC/C=C/C1=C(C=C(C=C1)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO7S/c1-9(14)19-7-3-4-10-5-6-11(20-21(2,17)18)8-12(10)13(15)16/h3-6,8H,7H2,1-2H3/b4-3+