[1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C19H17F3N2O7 MolecularWeight: 442.34269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17F3N2O7/c1-3-29-16-9-4-12(10-15(16)24(27)28)18(26)30-11(2)17(25)23-13-5-7-14(8-6-13)31-19(20,21)22/h4-11H,3H2,1-2H3,(H,23,25)