(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C17H15BrN2O6S MolecularWeight: 455.2798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O6S/c1-4-25-15-7-12(9-19)6-14(18)17(15)26-27(23,24)16-8-13(20(21)22)5-10(2)11(16)3/h5-8H,4H2,1-3H3