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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-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-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H22ClNO7 MolecularWeight: 435.85488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H22ClNO7/c1-12(2)17-7-18(22)13(3)4-19(17)28-10-20(24)29-9-15-6-16(23(25)26)5-14-8-27-11-30-21(14)15/h4-7,12H,8-11H2,1-3H3