(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-nitrobenzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C15H11BrN2O6S MolecularWeight: 427.22664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O6S/c1-2-23-14-8-10(9-17)7-13(16)15(14)24-25(21,22)12-5-3-11(4-6-12)18(19)20/h3-8H,2H2,1H3