(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-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-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H23NO7/c1-13(2)18-5-4-14(3)6-19(18)27-11-20(23)28-10-16-8-17(22(24)25)7-15-9-26-12-29-21(15)16/h4-8,13H,9-12H2,1-3H3