(4-cyanophenyl) 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: (4-cyanophenyl) 2-methoxy-4-nitro-benzenesulfonate Openeye Name: (4-cyanophenyl) 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid (4-cyanophenyl) ester Formula: C14H10N2O6S MolecularWeight: 334.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O6S/c1-21-13-8-11(16(17)18)4-7-14(13)23(19,20)22-12-5-2-10(9-15)3-6-12/h2-8H,1H3