(1-methoxy-1-oxidanylidene-propan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C18H13ClF3NO7 MolecularWeight: 447.74653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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