(4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-dioxolan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-dioxolan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-dioxolan-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[4-(azidomethyl)-1,3-dioxolan-2-yl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-dioxolan-2-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(azidomethyl)-1,3-dioxolan-2-yl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2OCC(O2)CN=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2OCC(O2)CN=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H19N5O6S/c17-19-18-6-12-9-25-15(27-12)14-5-13(28)7-20(14)16(22)26-8-10-1-3-11(4-2-10)21(23)24/h1-4,12-15,28H,5-9H2