(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetate CAS Name: 2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate Traditional Name: 2-(2,2-dimethylcoumaran-7-yl)oxyacetic 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:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C

InChI

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