[(2S,3S,6R)-6-[(4-methoxyphenyl)methoxy]-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate

Systemtic Name: [(2S,3S,6R)-6-[(4-methoxyphenyl)methoxy]-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Openeye Name: [(2S,3S,6R)-6-[(4-methoxyphenyl)methoxy]-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S,3S,6R)-6-[(4-methoxyphenyl)methoxy]-2-methyl-3,6-dihydro-2H-pyran-3-yl] ester IUPAC Name: [(2S,3S,6R)-6-[(4-methoxyphenyl)methoxy]-2-methyl-3,6-dihydro-2H-pyran-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S,3S,6R)-2-methyl-6-p-anisyloxy-3,6-dihydro-2H-pyran-3-yl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=CC(O1)OCC2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1[C@H](C=C[C@@H](O1)OCC2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c1-14-19(29-21(23)16-5-7-17(8-6-16)22(24)25)11-12-20(28-14)27-13-15-3-9-18(26-2)10-4-15/h3-12,14,19-20H,13H2,1-2H3/t14-,19-,20+/m0/s1