(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-phenoxypropanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-phenoxypropanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-phenoxypropanoate CAS Name: (2R)-2-phenoxypropanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (2R)-2-phenoxypropanoate Traditional Name: (2R)-2-phenoxypropionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)OC3=CC=CC=C3

InChI

InChI=1S/C18H17NO7/c1-12(26-16-5-3-2-4-6-16)18(20)24-10-14-8-15(19(21)22)7-13-9-23-11-25-17(13)14/h2-8,12H,9-11H2,1H3/t12-/m1/s1