O2-(benzotriazol-1-yl) O1-[(4-nitrophenyl)methyl] (2S,4R)-4-oxidanylpyrrolidine-1,2-dicarboxylate

Systemtic Name: O2-(benzotriazol-1-yl) O1-[(4-nitrophenyl)methyl] (2S,4R)-4-oxidanylpyrrolidine-1,2-dicarboxylate Openeye Name: O2-(benzotriazol-1-yl) O1-[(4-nitrophenyl)methyl] (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate CAS Name: (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylic acid O2-(1-benzotriazolyl) ester O1-[(4-nitrophenyl)methyl] ester IUPAC Name: 2-O-(benzotriazol-1-yl) 1-O-[(4-nitrophenyl)methyl] (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4R)-4-hydroxypyrrolidine-1,2-dicarboxylic acid O2-(benzotriazol-1-yl) ester O1-(4-nitrobenzyl) ester Formula: C19H17N5O7 MolecularWeight: 427.36758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)ON2C3=CC=CC=C3N=N2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1[C@H](CN([C@@H]1C(=O)ON2C3=CC=CC=C3N=N2)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H17N5O7/c25-14-9-17(18(26)31-23-16-4-2-1-3-15(16)20-21-23)22(10-14)19(27)30-11-12-5-7-13(8-6-12)24(28)29/h1-8,14,17,25H,9-11H2/t14-,17+/m1/s1