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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methoxyphenyl)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)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-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H17NO7 MolecularWeight: 359.33008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO7/c1-23-16-4-2-12(3-5-16)6-17(20)25-10-14-8-15(19(21)22)7-13-9-24-11-26-18(13)14/h2-5,7-8H,6,9-11H2,1H3