(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (3R)-3-phenylbutanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (3R)-3-phenylbutanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19NO6 MolecularWeight: 357.35726

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO6/c1-13(14-5-3-2-4-6-14)7-18(21)25-11-16-9-17(20(22)23)8-15-10-24-12-26-19(15)16/h2-6,8-9,13H,7,10-12H2,1H3/t13-/m1/s1