[(2R,3S,5S)-2-methyl-5-(phenylcarbonyloxymethyl)oxolan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2R,3S,5S)-2-methyl-5-(phenylcarbonyloxymethyl)oxolan-3-yl] 4-nitrobenzoate Openeye Name: [(2R,3S,5S)-5-(benzoyloxymethyl)-2-methyl-tetrahydrofuran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3S,5S)-5-(benzoyloxymethyl)-2-methyl-3-oxolanyl] ester IUPAC Name: [(2R,3S,5S)-5-(benzoyloxymethyl)-2-methyloxolan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R,3S,5S)-5-(benzoyloxymethyl)-2-methyl-tetrahydrofuran-3-yl] ester Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO7/c1-13-18(28-20(23)15-7-9-16(10-8-15)21(24)25)11-17(27-13)12-26-19(22)14-5-3-2-4-6-14/h2-10,13,17-18H,11-12H2,1H3/t13-,17+,18+/m1/s1