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

Systemtic Name: [(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl]methyl 4-nitrobenzoate Openeye Name: [(4R,5R)-5-allyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl]methyl ester IUPAC Name: [(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxan-4-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(4R,5R)-5-allyl-2,2-dimethyl-1,3-dioxan-4-yl]methyl ester Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CC1(OC[C@H]([C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C17H21NO6/c1-4-5-13-10-23-17(2,3)24-15(13)11-22-16(19)12-6-8-14(9-7-12)18(20)21/h4,6-9,13,15H,1,5,10-11H2,2-3H3/t13-,15+/m1/s1