5-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoate

Systemtic Name: 5-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoate Openeye Name: 5-[2-chloro-6-nitro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoate CAS Name: 5-[2-chloro-6-nitro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitrobenzoate IUPAC Name: 5-[2-chloro-6-nitro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitrobenzoate Traditional Name: 5-[2-chloro-6-nitro-4-(trifluoromethyl)phenoxy]-3-(2-hydroxyethyl)-2-nitro-benzoate Formula: C16H9ClF3N2O8- MolecularWeight: 449.69947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClF3N2O8/c17-11-4-8(16(18,19)20)5-12(21(26)27)14(11)30-9-3-7(1-2-23)13(22(28)29)10(6-9)15(24)25/h3-6,23H,1-2H2,(H,24,25)/p-1