methyl (1S,2S,3R,4S,5R)-2-nitro-4-oxidanyl-3,5-bis(phenylmethoxy)cyclopentane-1-carboxylate

Systemtic Name: methyl (1S,2S,3R,4S,5R)-2-nitro-4-oxidanyl-3,5-bis(phenylmethoxy)cyclopentane-1-carboxylate Openeye Name: methyl (1S,2R,3S,4R,5S)-2,4-dibenzyloxy-3-hydroxy-5-nitro-cyclopentanecarboxylate CAS Name: (1S,2S,3R,4S,5R)-4-hydroxy-2-nitro-3,5-bis(phenylmethoxy)-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2S,3R,4S,5R)-4-hydroxy-2-nitro-3,5-bis(phenylmethoxy)cyclopentane-1-carboxylate Traditional Name: (1S,2R,3S,4R,5S)-2,4-dibenzoxy-3-hydroxy-5-nitro-cyclopentanecarboxylic acid methyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(C1OCC2=CC=CC=C2)O)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)[C@H]1[C@@H]([C@H]([C@H]([C@@H]1OCC2=CC=CC=C2)O)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23NO7/c1-27-21(24)16-17(22(25)26)20(29-13-15-10-6-3-7-11-15)18(23)19(16)28-12-14-8-4-2-5-9-14/h2-11,16-20,23H,12-13H2,1H3/t16-,17-,18-,19+,20+/m0/s1