(5-nitroquinolin-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-nitroquinolin-2-yl) 4-methylbenzenesulfonate Openeye Name: (5-nitro-2-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-2-quinolinyl) ester IUPAC Name: (5-nitroquinolin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-nitro-2-quinolyl) ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=C2)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(C=C2)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O5S/c1-11-5-7-12(8-6-11)24(21,22)23-16-10-9-13-14(17-16)3-2-4-15(13)18(19)20/h2-10H,1H3