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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO7/c20-17(6-7-24-16-4-2-1-3-5-16)25-11-14-9-15(19(21)22)8-13-10-23-12-26-18(13)14/h1-5,8-9H,6-7,10-12H2