(4-butyl-6-nitro-1-oxidanidyl-3-oxidanyl-quinolin-1-ium-7-yl) ethanoate

Systemtic Name: (4-butyl-6-nitro-1-oxidanidyl-3-oxidanyl-quinolin-1-ium-7-yl) ethanoate Openeye Name: (4-butyl-3-hydroxy-6-nitro-1-oxido-quinolin-1-ium-7-yl) acetate CAS Name: acetic acid (4-butyl-3-hydroxy-6-nitro-1-oxido-7-quinolin-1-iumyl) ester IUPAC Name: (4-butyl-3-hydroxy-6-nitro-1-oxidoquinolin-1-ium-7-yl) acetate Traditional Name: acetic acid (4-butyl-3-hydroxy-6-nitro-1-oxido-quinolin-1-ium-7-yl) ester Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=[N+](C2=CC(=C(C=C21)[N+](=O)[O-])OC(=O)C)[O-])O

Isomeric SMILES

CCCCC1=C(C=[N+](C2=CC(=C(C=C21)[N+](=O)[O-])OC(=O)C)[O-])O

InChI

InChI=1S/C15H16N2O6/c1-3-4-5-10-11-6-13(17(21)22)15(23-9(2)18)7-12(11)16(20)8-14(10)19/h6-8,19H,3-5H2,1-2H3