(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23NO9 MolecularWeight: 433.40862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H23NO9/c1-26-17-6-13(7-18(27-2)21(17)28-3)4-5-19(23)30-11-15-9-16(22(24)25)8-14-10-29-12-31-20(14)15/h6-9H,4-5,10-12H2,1-3H3