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

Systemtic Name: (2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (2-oxo-3,4-dihydro-1H-quinolin-6-yl) ester IUPAC Name: (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (2-keto-3,4-dihydro-1H-quinolin-6-yl) ester Formula: C15H11ClN2O6S MolecularWeight: 382.77564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN2O6S/c16-12-4-3-11(8-14(12)18(20)21)25(22,23)24-10-2-5-13-9(7-10)1-6-15(19)17-13/h2-5,7-8H,1,6H2,(H,17,19)