diethyl 1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2,5-dicarboxylate

Systemtic Name: diethyl 1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2,5-dicarboxylate Openeye Name: diethyl 1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2,5-dicarboxylate CAS Name: 1-[(2,4-dinitrophenyl)thio]pyrrolidine-2,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(2,4-dinitrophenyl)sulfanylpyrrolidine-2,5-dicarboxylate Traditional Name: 1-[(2,4-dinitrophenyl)thio]pyrrolidine-2,5-dicarboxylic acid diethyl ester Formula: C16H19N3O8S MolecularWeight: 413.40236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(N1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCC(N1SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H19N3O8S/c1-3-26-15(20)11-6-7-12(16(21)27-4-2)17(11)28-14-8-5-10(18(22)23)9-13(14)19(24)25/h5,8-9,11-12H,3-4,6-7H2,1-2H3