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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2-methoxy-4-nitro-benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C16H13BrN2O7S MolecularWeight: 457.25262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O7S/c1-3-25-14-7-10(9-18)6-12(17)16(14)26-27(22,23)15-5-4-11(19(20)21)8-13(15)24-2/h4-8H,3H2,1-2H3