2-(4-chlorophenyl)sulfanylethyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C19H19ClN2O4S MolecularWeight: 406.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O4S/c20-14-3-6-16(7-4-14)27-12-11-26-19(23)17-13-15(22(24)25)5-8-18(17)21-9-1-2-10-21/h3-8,13H,1-2,9-12H2