2-[2-[(3-fluorophenyl)methoxy]-5-nitro-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: 2-[2-[(3-fluorophenyl)methoxy]-5-nitro-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: 2-[2-[(3-fluorophenyl)methoxy]-5-nitro-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: 2-[2-[(3-fluorophenyl)methoxy]-5-nitrophenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: 2-[2-[(3-fluorophenyl)methoxy]-5-nitrophenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: 2-[2-(3-fluorobenzyl)oxy-5-nitro-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C17H15FN2O5S MolecularWeight: 378.374803

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC(=CC=C3)F)C(=O)[O-]

Isomeric SMILES

C1C([NH2+]C(S1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC3=CC(=CC=C3)F)C(=O)[O-]

InChI

InChI=1S/C17H15FN2O5S/c18-11-3-1-2-10(6-11)8-25-15-5-4-12(20(23)24)7-13(15)16-19-14(9-26-16)17(21)22/h1-7,14,16,19H,8-9H2,(H,21,22)