(2-nitropyridin-3-yl) 3-fluoranyl-4-methoxy-benzenesulfonate

Systemtic Name: (2-nitropyridin-3-yl) 3-fluoranyl-4-methoxy-benzenesulfonate Openeye Name: (2-nitro-3-pyridyl) 3-fluoro-4-methoxy-benzenesulfonate CAS Name: 3-fluoro-4-methoxybenzenesulfonic acid (2-nitro-3-pyridinyl) ester IUPAC Name: (2-nitropyridin-3-yl) 3-fluoro-4-methoxybenzenesulfonate Traditional Name: 3-fluoro-4-methoxy-benzenesulfonic acid (2-nitro-3-pyridyl) ester Formula: C12H9FN2O6S MolecularWeight: 328.273063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=C(N=CC=C2)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=C(N=CC=C2)[N+](=O)[O-])F

InChI

InChI=1S/C12H9FN2O6S/c1-20-10-5-4-8(7-9(10)13)22(18,19)21-11-3-2-6-14-12(11)15(16)17/h2-7H,1H3