(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19NO8 MolecularWeight: 389.35606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO8/c1-24-16-4-3-12(5-17(16)25-2)6-18(21)27-10-14-8-15(20(22)23)7-13-9-26-11-28-19(13)14/h3-5,7-8H,6,9-11H2,1-2H3