2-(2-fluorophenyl)sulfanylethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C17H17FN2O5S MolecularWeight: 380.390683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC=C(C(=C1)F)SCCOC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H17FN2O5S/c18-14-3-1-2-4-16(14)26-10-9-25-17(22)13-11-12(20(23)24)5-6-15(13)19-7-8-21/h1-6,11,19,21H,7-10H2