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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6S/c1-14(2,18)8-15-12-9-5-3-4-6-10(9)16-11(7-24(21,22)23)13(12)17(19)20/h3-6,18H,7-8H2,1-2H3,(H,15,16)(H,21,22,23)