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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-methyl-5-propan-2-yl-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(5-isopropyl-2-methyl-phenoxy)acetate CAS Name: 2-(2-methyl-5-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-(2-methyl-5-propan-2-ylphenoxy)acetate Traditional Name: 2-(5-isopropyl-2-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=C(C=C(C=C1)C(C)C)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

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

InChI

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