[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C18H14F3NO7 MolecularWeight: 413.30147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H14F3NO7/c1-27-15-7-12(13(22(25)26)8-16(15)28-2)17(24)29-9-14(23)10-4-3-5-11(6-10)18(19,20)21/h3-8H,9H2,1-2H3