[(1S,2R,3R,4S,5R)-4-acetamido-2-acetyloxy-5-nitro-3-phenylmethoxy-cyclopentyl]methyl benzoate

Systemtic Name: [(1S,2R,3R,4S,5R)-4-acetamido-2-acetyloxy-5-nitro-3-phenylmethoxy-cyclopentyl]methyl benzoate Openeye Name: [(1S,2R,3R,4S,5R)-4-acetamido-2-acetoxy-3-benzyloxy-5-nitro-cyclopentyl]methyl benzoate CAS Name: benzoic acid [(1S,2R,3R,4S,5R)-4-acetamido-2-acetyloxy-5-nitro-3-phenylmethoxycyclopentyl]methyl ester IUPAC Name: [(1S,2R,3R,4S,5R)-4-acetamido-2-acetyloxy-5-nitro-3-phenylmethoxycyclopentyl]methyl benzoate Traditional Name: benzoic acid [(1S,2R,3R,4S,5R)-4-acetamido-2-acetoxy-3-benzoxy-5-nitro-cyclopentyl]methyl ester Formula: C24H26N2O8 MolecularWeight: 470.47184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(C1OCC2=CC=CC=C2)OC(=O)C)COC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O8/c1-15(27)25-20-21(26(30)31)19(14-33-24(29)18-11-7-4-8-12-18)22(34-16(2)28)23(20)32-13-17-9-5-3-6-10-17/h3-12,19-23H,13-14H2,1-2H3,(H,25,27)/t19-,20+,21-,22-,23-/m1/s1