[(4S,5R)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxan-5-yl] 4-nitrobenzoate

Systemtic Name: [(4S,5R)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxan-5-yl] 4-nitrobenzoate Openeye Name: [(4S,5R)-4-allyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S,5R)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxan-5-yl] ester IUPAC Name: [(4S,5R)-2-(4-methoxyphenyl)-4-prop-2-enyl-1,3-dioxan-5-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(4S,5R)-4-allyl-2-(4-methoxyphenyl)-1,3-dioxan-5-yl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2OCC(C(O2)CC=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2OC[C@H]([C@@H](O2)CC=C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c1-3-4-18-19(28-20(23)14-5-9-16(10-6-14)22(24)25)13-27-21(29-18)15-7-11-17(26-2)12-8-15/h3,5-12,18-19,21H,1,4,13H2,2H3/t18-,19+,21?/m0/s1