[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C16H9BrF3NO5 MolecularWeight: 432.14557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H9BrF3NO5/c17-12-5-4-10(7-13(12)21(24)25)15(23)26-8-14(22)9-2-1-3-11(6-9)16(18,19)20/h1-7H,8H2