(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate CAS Name: 4-[[(2R)-2-oxolanyl]methoxy]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Traditional Name: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

C1C[C@@H](OC1)COC2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H21NO8/c23-21(14-3-5-18(6-4-14)28-12-19-2-1-7-27-19)29-11-16-9-17(22(24)25)8-15-10-26-13-30-20(15)16/h3-6,8-9,19H,1-2,7,10-13H2/t19-/m1/s1