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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-propoxyphenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-propoxyphenoxy)acetate CAS Name: 2-(2-propoxyphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-propoxyphenoxy)acetate Traditional Name: 2-(2-propoxyphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO8 MolecularWeight: 403.38264

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCCOC1=CC=CC=C1OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H21NO8/c1-2-7-26-17-5-3-4-6-18(17)27-12-19(22)28-11-15-9-16(21(23)24)8-14-10-25-13-29-20(14)15/h3-6,8-9H,2,7,10-13H2,1H3