(2-methyl-5-nitro-quinolin-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-5-nitro-quinolin-8-yl) 4-methylbenzenesulfonate Openeye Name: (2-methyl-5-nitro-8-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-5-nitro-8-quinolinyl) ester IUPAC Name: (2-methyl-5-nitroquinolin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-5-nitro-8-quinolyl) ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c1-11-3-6-13(7-4-11)25(22,23)24-16-10-9-15(19(20)21)14-8-5-12(2)18-17(14)16/h3-10H,1-2H3