(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-acetyl-2-methoxy-phenyl)acetate CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-acetyl-2-methoxyphenyl)acetate Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO8/c1-12(22)13-3-4-18(26-2)14(5-13)8-19(23)28-10-16-7-17(21(24)25)6-15-9-27-11-29-20(15)16/h3-7H,8-11H2,1-2H3