[(2S)-2-oxidanyl-2-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]ethyl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-oxidanyl-2-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]ethyl] 4-nitrobenzoate Openeye Name: [(2S)-2-[(2R,5R)-5-(benzyloxymethyl)tetrahydrofuran-2-yl]-2-hydroxy-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-hydroxy-2-[(2R,5R)-5-(phenylmethoxymethyl)-2-oxolanyl]ethyl] ester IUPAC Name: [(2S)-2-hydroxy-2-[(2R,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-[(2R,5R)-5-(benzoxymethyl)tetrahydrofuran-2-yl]-2-hydroxy-ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1COCC2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C[C@@H](O[C@H]1COCC2=CC=CC=C2)[C@H](COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H23NO7/c23-19(14-28-21(24)16-6-8-17(9-7-16)22(25)26)20-11-10-18(29-20)13-27-12-15-4-2-1-3-5-15/h1-9,18-20,23H,10-14H2/t18-,19+,20-/m1/s1