(1-methoxy-1-oxidanylidene-propan-2-yl) 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate CAS Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Traditional Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)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(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1=C(C=CC(=C1Cl)OC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

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