[(1R)-1-[(2S)-5-oxidanylideneoxolan-2-yl]-4-phenylmethoxy-butyl] 4-nitrobenzoate

Systemtic Name: [(1R)-1-[(2S)-5-oxidanylideneoxolan-2-yl]-4-phenylmethoxy-butyl] 4-nitrobenzoate Openeye Name: [(1R)-4-benzyloxy-1-[(2S)-5-oxotetrahydrofuran-2-yl]butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R)-1-[(2S)-5-oxo-2-oxolanyl]-4-phenylmethoxybutyl] ester IUPAC Name: [(1R)-1-[(2S)-5-oxooxolan-2-yl]-4-phenylmethoxybutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R)-4-benzoxy-1-[(2S)-5-ketotetrahydrofuran-2-yl]butyl] ester Formula: C22H23NO7 MolecularWeight: 413.42052

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OC1C(CCCOCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)O[C@@H]1[C@@H](CCCOCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO7/c24-21-13-12-20(29-21)19(7-4-14-28-15-16-5-2-1-3-6-16)30-22(25)17-8-10-18(11-9-17)23(26)27/h1-3,5-6,8-11,19-20H,4,7,12-15H2/t19-,20+/m1/s1