2-(2-fluorophenyl)sulfanylethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C19H19FN2O4S MolecularWeight: 390.428563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCCSC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCCSC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H19FN2O4S/c20-15-5-1-2-6-18(15)27-12-11-26-19(23)14-7-8-16(17(13-14)22(24)25)21-9-3-4-10-21/h1-2,5-8,13H,3-4,9-12H2