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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-ethanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-acetyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-acetyl-2-methoxyphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-acetyl-2-methoxy-phenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19NO9 MolecularWeight: 417.36616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO9/c1-12(22)13-3-4-17(18(7-13)26-2)28-10-19(23)29-9-15-6-16(21(24)25)5-14-8-27-11-30-20(14)15/h3-7H,8-11H2,1-2H3