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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H19NO8 MolecularWeight: 413.37746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C21H19NO8/c1-2-26-11-17-16-5-3-4-6-18(16)30-20(17)21(23)28-10-14-8-15(22(24)25)7-13-9-27-12-29-19(13)14/h3-8H,2,9-12H2,1H3