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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-propan-2-ylphenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-isopropylphenoxy)acetate CAS Name: 2-(4-propan-2-ylphenoxy)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-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropylphenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO7/c1-13(2)14-3-5-18(6-4-14)26-11-19(22)27-10-16-8-17(21(23)24)7-15-9-25-12-28-20(15)16/h3-8,13H,9-12H2,1-2H3