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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-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-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H17NO8 MolecularWeight: 399.35088

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C20H17NO8/c1-25-10-16-15-4-2-3-5-17(15)29-19(16)20(22)27-9-13-7-14(21(23)24)6-12-8-26-11-28-18(12)13/h2-7H,8-11H2,1H3