(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-methyl-3-nitro-benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-methyl-3-nitro-benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-methyl-3-nitro-benzenesulfonate CAS Name: 2-methyl-3-nitrobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-methyl-3-nitrobenzenesulfonate Traditional Name: 2-methyl-3-nitro-benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H13BrN2O6S MolecularWeight: 441.25322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC(=C2C)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O6S/c1-3-24-14-8-11(9-18)7-12(17)16(14)25-26(22,23)15-6-4-5-13(10(15)2)19(20)21/h4-8H,3H2,1-2H3