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

Systemtic Name: [(1S,2R,3S,4S,5R)-4-acetamido-2-methanoyloxy-5-nitro-3-phenylmethoxy-cyclopentyl]methyl benzoate Openeye Name: [(1S,2R,3S,4S,5R)-4-acetamido-3-benzyloxy-2-formyloxy-5-nitro-cyclopentyl]methyl benzoate CAS Name: benzoic acid [(1S,2R,3S,4S,5R)-4-acetamido-2-formyloxy-5-nitro-3-phenylmethoxycyclopentyl]methyl ester IUPAC Name: [(1S,2R,3S,4S,5R)-4-acetamido-2-formyloxy-5-nitro-3-phenylmethoxycyclopentyl]methyl benzoate Traditional Name: benzoic acid [(1S,2R,3S,4S,5R)-4-acetamido-3-benzoxy-2-formyloxy-5-nitro-cyclopentyl]methyl ester Formula: C23H24N2O8 MolecularWeight: 456.44526

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H24N2O8/c1-15(27)24-19-20(25(29)30)18(13-32-23(28)17-10-6-3-7-11-17)21(33-14-26)22(19)31-12-16-8-4-2-5-9-16/h2-11,14,18-22H,12-13H2,1H3,(H,24,27)/t18-,19+,20-,21-,22+/m1/s1