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

Systemtic Name: dimethyl 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C19H17NO9 MolecularWeight: 403.33958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO9/c1-25-18(21)11-3-12(19(22)26-2)7-16(6-11)28-9-14-5-15(20(23)24)4-13-8-27-10-29-17(13)14/h3-7H,8-10H2,1-2H3