[5-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]quinolin-8-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]quinolin-8-yl] 4-methylbenzenesulfonate Openeye Name: [5-methyl-2-[(E)-2-(2-nitrophenyl)vinyl]-8-quinolyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]-8-quinolinyl] ester IUPAC Name: [5-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]quinolin-8-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-methyl-2-[(E)-2-(2-nitrophenyl)vinyl]-8-quinolyl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)C)C=CC(=N3)C=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)C)C=CC(=N3)/C=C/C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H20N2O5S/c1-17-7-13-21(14-8-17)33(30,31)32-24-16-9-18(2)22-15-12-20(26-25(22)24)11-10-19-5-3-4-6-23(19)27(28)29/h3-16H,1-2H3/b11-10+