[2-(4-nitrophenyl)-4-oxidanylidene-pentan-2-yl] 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [2-(4-nitrophenyl)-4-oxidanylidene-pentan-2-yl] 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [1-methyl-1-(4-nitrophenyl)-3-oxo-butyl] 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [2-(4-nitrophenyl)-4-oxopentan-2-yl] ester IUPAC Name: [2-(4-nitrophenyl)-4-oxopentan-2-yl] 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [3-keto-1-methyl-1-(4-nitrophenyl)butyl] ester Formula: C13H12F3NO5 MolecularWeight: 319.23329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3NO5/c1-8(18)7-12(2,22-11(19)13(14,15)16)9-3-5-10(6-4-9)17(20)21/h3-6H,7H2,1-2H3