(5-fluoranyl-2-nitro-phenyl) 4-morpholin-4-ylpyridin-1-ium-2-carboxylate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 4-morpholin-4-ylpyridin-1-ium-2-carboxylate Openeye Name: (5-fluoro-2-nitro-phenyl) 4-morpholinopyridin-1-ium-2-carboxylate CAS Name: 4-(4-morpholinyl)-2-pyridin-1-iumcarboxylic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 4-morpholin-4-ylpyridin-1-ium-2-carboxylate Traditional Name: 4-morpholinopyridin-1-ium-2-carboxylic acid (5-fluoro-2-nitro-phenyl) ester Formula: C16H15FN3O5+ MolecularWeight: 348.305803

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC(=[NH+]C=C2)C(=O)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14FN3O5/c17-11-1-2-14(20(22)23)15(9-11)25-16(21)13-10-12(3-4-18-13)19-5-7-24-8-6-19/h1-4,9-10H,5-8H2/p+1