2-acetyloxyethyl 5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-2-nitro-benzoate

Systemtic Name: 2-acetyloxyethyl 5-[2-chloranyl-3,5,6-tris(fluoranyl)-4-methyl-phenoxy]-2-nitro-benzoate Openeye Name: 2-acetoxyethyl 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-2-nitro-benzoate CAS Name: 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-nitrobenzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 5-(2-chloro-3,5,6-trifluoro-4-methylphenoxy)-2-nitrobenzoate Traditional Name: 5-(2-chloro-3,5,6-trifluoro-4-methyl-phenoxy)-2-nitro-benzoic acid 2-acetoxyethyl ester Formula: C18H13ClF3NO7 MolecularWeight: 447.74653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOC(=O)C)F)F

Isomeric SMILES

CC1=C(C(=C(C(=C1F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCCOC(=O)C)F)F

InChI

InChI=1S/C18H13ClF3NO7/c1-8-14(20)13(19)17(16(22)15(8)21)30-10-3-4-12(23(26)27)11(7-10)18(25)29-6-5-28-9(2)24/h3-4,7H,5-6H2,1-2H3