[4-[(2-methyl-2-oxidanyl-propyl)amino]-3-nitro-quinolin-2-yl] methanesulfonate

Systemtic Name: [4-[(2-methyl-2-oxidanyl-propyl)amino]-3-nitro-quinolin-2-yl] methanesulfonate Openeye Name: [4-[(2-hydroxy-2-methyl-propyl)amino]-3-nitro-2-quinolyl] methanesulfonate CAS Name: methanesulfonic acid [4-[(2-hydroxy-2-methylpropyl)amino]-3-nitro-2-quinolinyl] ester IUPAC Name: [4-[(2-hydroxy-2-methylpropyl)amino]-3-nitroquinolin-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(2-hydroxy-2-methyl-propyl)amino]-3-nitro-2-quinolyl] ester Formula: C14H17N3O6S MolecularWeight: 355.36628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C(=NC2=CC=CC=C21)OS(=O)(=O)C)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(CNC1=C(C(=NC2=CC=CC=C21)OS(=O)(=O)C)[N+](=O)[O-])O

InChI

InChI=1S/C14H17N3O6S/c1-14(2,18)8-15-11-9-6-4-5-7-10(9)16-13(12(11)17(19)20)23-24(3,21)22/h4-7,18H,8H2,1-3H3,(H,15,16)