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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloro-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)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-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H18ClNO7 MolecularWeight: 407.80172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)Cl

InChI

InChI=1S/C19H18ClNO7/c1-11-3-15(20)4-12(2)18(11)27-9-17(22)26-8-14-6-16(21(23)24)5-13-7-25-10-28-19(13)14/h3-6H,7-10H2,1-2H3