[2-bromanyl-4-[2-cyano-2-(4-nitrophenyl)ethenyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-[2-cyano-2-(4-nitrophenyl)ethenyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-4-[2-cyano-2-(4-nitrophenyl)vinyl]-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-4-[2-cyano-2-(4-nitrophenyl)ethenyl]-6-methoxyphenyl] ester IUPAC Name: [2-bromo-4-[2-cyano-2-(4-nitrophenyl)ethenyl]-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-4-[2-cyano-2-(4-nitrophenyl)vinyl]-6-methoxy-phenyl] ester Formula: C23H17BrN2O6S MolecularWeight: 529.35988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C23H17BrN2O6S/c1-15-3-9-20(10-4-15)33(29,30)32-23-21(24)12-16(13-22(23)31-2)11-18(14-25)17-5-7-19(8-6-17)26(27)28/h3-13H,1-2H3