[4-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(3,4-dihydro-2H-quinolin-1-ylcarbonyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]phenyl] ester IUPAC Name: [4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl] ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O6S/c25-22(23-14-4-6-16-5-1-2-9-21(16)23)17-10-12-19(13-11-17)30-31(28,29)20-8-3-7-18(15-20)24(26)27/h1-3,5,7-13,15H,4,6,14H2