(4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)imidazolidin-1-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2,5-dioxo-1-imidazolidinyl)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2,5-diketoimidazolidin-1-yl)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CN2C(=O)CNC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CN2C(=O)CNC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H18N4O6S/c21-14-6-17-15(22)19(14)7-12-5-13(27)8-18(12)16(23)26-9-10-1-3-11(4-2-10)20(24)25/h1-4,12-13,27H,5-9H2,(H,17,22)