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

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H15F3N2O6 MolecularWeight: 412.31671

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O6/c1-2-28-15-8-7-11(9-14(15)23(26)27)17(25)29-10-16(24)22-13-6-4-3-5-12(13)18(19,20)21/h3-9H,2,10H2,1H3,(H,22,24)