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

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[3-(trifluoromethyl)anilino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O6/c1-27-16(24)10-5-6-14(13(7-10)22(25)26)28-9-15(23)21-12-4-2-3-11(8-12)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)