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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-chloranyl-2-methyl-phenoxy)butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-chloro-2-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-2-methylphenoxy)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-chloro-2-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-2-methyl-phenoxy)butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO7 MolecularWeight: 421.8283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO7/c1-13-7-16(21)4-5-18(13)27-6-2-3-19(23)28-11-15-9-17(22(24)25)8-14-10-26-12-29-20(14)15/h4-5,7-9H,2-3,6,10-12H2,1H3