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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloranyl-2-methyl-phenoxy)propanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloro-2-methyl-phenoxy)propanoate CAS Name: 2-(4-chloro-2-methylphenoxy)propanoic 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-methylphenoxy)propanoate Traditional Name: 2-(4-chloro-2-methyl-phenoxy)propionic 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=C(C=CC(=C1)Cl)OC(C)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

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

InChI

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