(2-methylquinolin-8-yl) 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-nitro-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C16H11ClN2O5S MolecularWeight: 378.78694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C=C1

InChI

InChI=1S/C16H11ClN2O5S/c1-10-5-6-11-3-2-4-14(16(11)18-10)24-25(22,23)15-9-12(19(20)21)7-8-13(15)17/h2-9H,1H3