ethyl 7-nitro-1-octyl-1-oxidanidyl-4H-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-nitro-1-octyl-1-oxidanidyl-4H-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-nitro-1-octyl-1-oxido-4H-quinolin-1-ium-3-carboxylate CAS Name: 7-nitro-1-octyl-1-oxido-4H-quinolin-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-nitro-1-octyl-1-oxido-4H-quinolin-1-ium-3-carboxylate Traditional Name: 7-nitro-1-octyl-1-oxido-4H-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C=C(CC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OCC)[O-]

Isomeric SMILES

CCCCCCCC[N+]1(C=C(CC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)OCC)[O-]

InChI

InChI=1S/C20H28N2O5/c1-3-5-6-7-8-9-12-22(26)15-17(20(23)27-4-2)13-16-10-11-18(21(24)25)14-19(16)22/h10-11,14-15H,3-9,12-13H2,1-2H3