tert-butyl (3S,5S)-5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-1,2-oxazolidine-2-carboxylate

Systemtic Name: tert-butyl (3S,5S)-5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-1,2-oxazolidine-2-carboxylate Openeye Name: tert-butyl (3S,5S)-5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]isoxazolidine-2-carboxylate CAS Name: (3S,5S)-5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-2-isoxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,5S)-5-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-1,2-oxazolidine-2-carboxylate Traditional Name: (3S,5S)-5-(4-methoxyphenyl)-3-(4-nitrobenzyl)isoxazolidine-2-carboxylic acid tert-butyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(O1)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C[C@H](O1)C2=CC=C(C=C2)OC)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)29-21(25)23-18(13-15-5-9-17(10-6-15)24(26)27)14-20(30-23)16-7-11-19(28-4)12-8-16/h5-12,18,20H,13-14H2,1-4H3/t18-,20-/m0/s1