O1-(2-methylpropyl) O2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (2S,4S)-4-oxidanylpyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-(2-methylpropyl) O2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (2S,4S)-4-oxidanylpyrrolidine-1,2-dicarboxylate Openeye Name: O1-isobutyl O2-[2-(3-nitrophenyl)-2-oxo-ethyl] (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate CAS Name: (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylic acid O1-(2-methylpropyl) ester O2-[2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: 1-O-(2-methylpropyl) 2-O-[2-(3-nitrophenyl)-2-oxoethyl] (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4S)-4-hydroxypyrrolidine-1,2-dicarboxylic acid O1-isobutyl ester O2-[2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C18H22N2O8 MolecularWeight: 394.37588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CC(CC1C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)COC(=O)N1C[C@H](C[C@H]1C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H22N2O8/c1-11(2)9-28-18(24)19-8-14(21)7-15(19)17(23)27-10-16(22)12-4-3-5-13(6-12)20(25)26/h3-6,11,14-15,21H,7-10H2,1-2H3/t14-,15-/m0/s1