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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17NO8 MolecularWeight: 399.35088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H17NO8/c1-25-16-2-3-17-12(9-27-18(17)7-16)6-19(22)28-10-14-5-15(21(23)24)4-13-8-26-11-29-20(13)14/h2-5,7,9H,6,8,10-11H2,1H3