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

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 2,3-dimethyl-5-nitro-benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2,3-dimethyl-5-nitro-benzenesulfonate CAS Name: 2,3-dimethyl-5-nitrobenzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2,3-dimethyl-5-nitrobenzenesulfonate Traditional Name: 2,3-dimethyl-5-nitro-benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)OC2=CC3=C(C=C2)NC(=O)CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c1-10-7-13(19(21)22)9-16(11(10)2)26(23,24)25-14-4-5-15-12(8-14)3-6-17(20)18-15/h4-5,7-9H,3,6H2,1-2H3,(H,18,20)