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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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