[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C18H15F3N2O8 MolecularWeight: 444.31551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C18H15F3N2O8/c1-28-14-7-12(13(23(26)27)8-15(14)29-2)17(25)30-9-16(24)22-10-3-5-11(6-4-10)31-18(19,20)21/h3-8H,9H2,1-2H3,(H,22,24)