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

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C17H12F3NO5 MolecularWeight: 367.27609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3NO5/c1-10-5-6-12(8-14(10)21(24)25)16(23)26-9-15(22)11-3-2-4-13(7-11)17(18,19)20/h2-8H,9H2,1H3