(2-methyl-3-oxidanyl-propyl) 4-acetyloxy-3-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (2-methyl-3-oxidanyl-propyl) 4-acetyloxy-3-chloranyl-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (3-hydroxy-2-methyl-propyl) 4-acetoxy-3-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 4-acetyloxy-3-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (3-hydroxy-2-methylpropyl) ester IUPAC Name: (3-hydroxy-2-methylpropyl) 4-acetyloxy-3-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 4-acetoxy-3-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (3-hydroxy-2-methyl-propyl) ester Formula: C20H16Cl2F3NO8 MolecularWeight: 526.24415

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)COC(=O)C1=CC(=C(C(=C1[N+](=O)[O-])Cl)OC(=O)C)OC2=C(C=C(C=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(CO)COC(=O)C1=CC(=C(C(=C1[N+](=O)[O-])Cl)OC(=O)C)OC2=C(C=C(C=C2)C(F)(F)F)Cl

InChI

InChI=1S/C20H16Cl2F3NO8/c1-9(7-27)8-32-19(29)12-6-15(18(33-10(2)28)16(22)17(12)26(30)31)34-14-4-3-11(5-13(14)21)20(23,24)25/h3-6,9,27H,7-8H2,1-2H3