(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methanoyl-2-methoxy-phenoxy)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-formyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-formyl-2-methoxyphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-formyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-formyl-2-methoxy-phenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H17NO9 MolecularWeight: 403.33958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H17NO9/c1-25-17-4-12(7-21)2-3-16(17)27-10-18(22)28-9-14-6-15(20(23)24)5-13-8-26-11-29-19(13)14/h2-7H,8-11H2,1H3