methyl 3-methoxy-4-[(1-methyl-7-nitro-4-oxidanylidene-quinolin-2-yl)-methylsulfonyloxy-methyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[(1-methyl-7-nitro-4-oxidanylidene-quinolin-2-yl)-methylsulfonyloxy-methyl]benzoate Openeye Name: methyl 3-methoxy-4-[(1-methyl-7-nitro-4-oxo-2-quinolyl)-methylsulfonyloxy-methyl]benzoate CAS Name: 3-methoxy-4-[(1-methyl-7-nitro-4-oxo-2-quinolinyl)-methylsulfonyloxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[(1-methyl-7-nitro-4-oxoquinolin-2-yl)-methylsulfonyloxymethyl]benzoate Traditional Name: 4-[(4-keto-1-methyl-7-nitro-2-quinolyl)-methylsulfonyloxy-methyl]-3-methoxy-benzoic acid methyl ester Formula: C21H20N2O9S MolecularWeight: 476.4565

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)C2=C1C=C(C=C2)[N+](=O)[O-])C(C3=C(C=C(C=C3)C(=O)OC)OC)OS(=O)(=O)C

Isomeric SMILES

CN1C(=CC(=O)C2=C1C=C(C=C2)[N+](=O)[O-])C(C3=C(C=C(C=C3)C(=O)OC)OC)OS(=O)(=O)C

InChI

InChI=1S/C21H20N2O9S/c1-22-16-10-13(23(26)27)6-8-14(16)18(24)11-17(22)20(32-33(4,28)29)15-7-5-12(21(25)31-3)9-19(15)30-2/h5-11,20H,1-4H3