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

Systemtic Name: (2-methylquinolin-8-yl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)C

InChI

InChI=1S/C17H14N2O5S/c1-11-6-9-14(19(20)21)10-16(11)25(22,23)24-15-5-3-4-13-8-7-12(2)18-17(13)15/h3-10H,1-2H3