3-oxidanylidenebutan-2-yl 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 2-chloranyl-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Openeye Name: (1-methyl-2-oxo-propyl) 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate CAS Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoate Traditional Name: 2-chloro-3-(4-nitrophenoxy)-6-(trifluoromethyl)benzoic acid (2-keto-1-methyl-propyl) ester Formula: C18H13ClF3NO6 MolecularWeight: 431.74713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClF3NO6/c1-9(24)10(2)28-17(25)15-13(18(20,21)22)7-8-14(16(15)19)29-12-5-3-11(4-6-12)23(26)27/h3-8,10H,1-2H3