(2-methylquinolin-8-yl) 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 2-methoxy-4-nitro-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6S/c1-11-6-7-12-4-3-5-14(17(12)18-11)25-26(22,23)16-9-8-13(19(20)21)10-15(16)24-2/h3-10H,1-2H3