2-acetyloxyethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; methanol

Systemtic Name: 2-acetyloxyethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; methanol Openeye Name: 2-acetoxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate; methanol CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-acetyloxyethyl ester; methanol IUPAC Name: 2-acetyloxyethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate; methanol Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-acetoxyethyl ester; methanol Formula: C19H17ClF3NO8 MolecularWeight: 479.78839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3NO7.CH4O/c1-10(24)28-6-7-29-17(25)13-9-12(3-4-15(13)23(26)27)30-16-5-2-11(8-14(16)19)18(20,21)22;1-2/h2-5,8-9H,6-7H2,1H3;2H,1H3