(8-chloranyl-3-ethanoyl-2-methylsulfanyl-5-nitro-quinolin-4-yl) methanesulfonate

Systemtic Name: (8-chloranyl-3-ethanoyl-2-methylsulfanyl-5-nitro-quinolin-4-yl) methanesulfonate Openeye Name: (3-acetyl-8-chloro-2-methylsulfanyl-5-nitro-4-quinolyl) methanesulfonate CAS Name: methanesulfonic acid [3-acetyl-8-chloro-2-(methylthio)-5-nitro-4-quinolinyl] ester IUPAC Name: (3-acetyl-8-chloro-2-methylsulfanyl-5-nitroquinolin-4-yl) methanesulfonate Traditional Name: methanesulfonic acid [3-acetyl-8-chloro-2-(methylthio)-5-nitro-4-quinolyl] ester Formula: C13H11ClN2O6S2 MolecularWeight: 390.81924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(C=CC(=C2N=C1SC)Cl)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(=O)C1=C(C2=C(C=CC(=C2N=C1SC)Cl)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C13H11ClN2O6S2/c1-6(17)9-12(22-24(3,20)21)10-8(16(18)19)5-4-7(14)11(10)15-13(9)23-2/h4-5H,1-3H3