(5-nitroquinolin-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-nitroquinolin-8-yl) 4-methylbenzenesulfonate Openeye Name: (5-nitro-8-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-8-quinolinyl) ester IUPAC Name: (5-nitroquinolin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitro-8-quinolyl) ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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)[N+](=O)[O-])C=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O5S/c1-11-4-6-12(7-5-11)24(21,22)23-15-9-8-14(18(19)20)13-3-2-10-17-16(13)15/h2-10H,1H3