[3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate

Systemtic Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate Openeye Name: [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate CAS Name: cyclopropanesulfonic acid [3-methoxy-4-[5-[(2-methoxy-5-nitrophenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] ester IUPAC Name: [3-methoxy-4-[5-[(2-methoxy-5-nitrophenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] cyclopropanesulfonate Traditional Name: cyclopropanesulfonic acid [3-methoxy-4-[5-[(2-methoxy-5-nitro-phenoxy)methyl]-2,2,4-trimethyl-1H-quinolin-6-yl]phenyl] ester Formula: C30H32N2O8S MolecularWeight: 580.64868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C(=C(C=C2)C3=C(C=C(C=C3)OS(=O)(=O)C4CC4)OC)COC5=C(C=CC(=C5)[N+](=O)[O-])OC)(C)C

Isomeric SMILES

CC1=CC(NC2=C1C(=C(C=C2)C3=C(C=C(C=C3)OS(=O)(=O)C4CC4)OC)COC5=C(C=CC(=C5)[N+](=O)[O-])OC)(C)C

InChI

InChI=1S/C30H32N2O8S/c1-18-16-30(2,3)31-25-12-11-22(23-10-7-20(15-27(23)38-5)40-41(35,36)21-8-9-21)24(29(18)25)17-39-28-14-19(32(33)34)6-13-26(28)37-4/h6-7,10-16,21,31H,8-9,17H2,1-5H3