diethyl 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzene-1,3-dicarboxylate CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H21NO9 MolecularWeight: 431.39274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO9/c1-3-28-20(23)13-5-14(21(24)29-4-2)9-18(8-13)30-11-16-7-17(22(25)26)6-15-10-27-12-31-19(15)16/h5-9H,3-4,10-12H2,1-2H3