[(3aR,4S,5R,6aS)-2-oxidanylidene-5-(phenylcarbonyloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl 2-nitrobenzoate

Systemtic Name: [(3aR,4S,5R,6aS)-2-oxidanylidene-5-(phenylcarbonyloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl 2-nitrobenzoate Openeye Name: [(3aR,4S,5R,6aS)-5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(3aR,4S,5R,6aS)-5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl ester IUPAC Name: [(3aR,4S,5R,6aS)-5-benzoyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(3aR,4S,5R,6aS)-5-benzoyloxy-2-keto-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl ester Formula: C22H19NO8 MolecularWeight: 425.38816

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(CC(=O)O2)C(C1OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1[C@H]2[C@H](CC(=O)O2)[C@H]([C@@H]1OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H19NO8/c24-20-10-15-16(12-29-22(26)14-8-4-5-9-17(14)23(27)28)19(11-18(15)30-20)31-21(25)13-6-2-1-3-7-13/h1-9,15-16,18-19H,10-12H2/t15-,16-,18+,19-/m1/s1