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

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

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c1-9(2)8-15-12-10-6-4-5-7-11(10)16-14(13(12)17(18)19)22-23(3,20)21/h4-7,9H,8H2,1-3H3,(H,15,16)