(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C16H14N2O6S MolecularWeight: 362.35716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3

InChI

InChI=1S/C16H14N2O6S/c1-10-2-4-12(18(20)21)9-15(10)25(22,23)24-13-5-6-14-11(8-13)3-7-16(19)17-14/h2,4-6,8-9H,3,7H2,1H3,(H,17,19)