[(1S)-1-[(2R,3S,5R)-5-methoxy-3-phenylmethoxy-oxolan-2-yl]ethyl] 4-nitrobenzoate

Systemtic Name: [(1S)-1-[(2R,3S,5R)-5-methoxy-3-phenylmethoxy-oxolan-2-yl]ethyl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(2R,3S,5R)-3-benzyloxy-5-methoxy-tetrahydrofuran-2-yl]ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(2R,3S,5R)-5-methoxy-3-phenylmethoxy-2-oxolanyl]ethyl] ester IUPAC Name: [(1S)-1-[(2R,3S,5R)-5-methoxy-3-phenylmethoxyoxolan-2-yl]ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(2R,3S,5R)-3-benzoxy-5-methoxy-tetrahydrofuran-2-yl]ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(CC(O1)OC)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H]1[C@H](C[C@@H](O1)OC)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO7/c1-14(28-21(23)16-8-10-17(11-9-16)22(24)25)20-18(12-19(26-2)29-20)27-13-15-6-4-3-5-7-15/h3-11,14,18-20H,12-13H2,1-2H3/t14-,18-,19+,20+/m0/s1