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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO8 MolecularWeight: 403.38264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OC

InChI

InChI=1S/C20H21NO8/c1-25-17-5-3-13(7-18(17)26-2)4-6-19(22)28-11-15-9-16(21(23)24)8-14-10-27-12-29-20(14)15/h3,5,7-9H,4,6,10-12H2,1-2H3