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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-allyl-2-methoxy-phenoxy)acetate CAS Name: 2-(2-methoxy-4-prop-2-enylphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methoxy-4-prop-2-enylphenoxy)acetate Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO8/c1-3-4-14-5-6-18(19(7-14)26-2)28-12-20(23)29-11-16-9-17(22(24)25)8-15-10-27-13-30-21(15)16/h3,5-9H,1,4,10-13H2,2H3