[4-(2-methylpropylamino)-3-nitro-quinolin-2-yl]methanesulfonic acid

Systemtic Name: [4-(2-methylpropylamino)-3-nitro-quinolin-2-yl]methanesulfonic acid Openeye Name: [4-(isobutylamino)-3-nitro-2-quinolyl]methanesulfonic acid CAS Name: [4-(2-methylpropylamino)-3-nitro-2-quinolinyl]methanesulfonic acid IUPAC Name: [4-(2-methylpropylamino)-3-nitroquinolin-2-yl]methanesulfonic acid Traditional Name: [4-(isobutylamino)-3-nitro-2-quinolyl]methanesulfonic acid Formula: C14H17N3O5S MolecularWeight: 339.36688

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c1-9(2)7-15-13-10-5-3-4-6-11(10)16-12(8-23(20,21)22)14(13)17(18)19/h3-6,9H,7-8H2,1-2H3,(H,15,16)(H,20,21,22)