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

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenoxypropanoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-phenoxypropanoate CAS Name: 3-phenoxypropanoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenoxypropanoate Traditional Name: 3-phenoxypropionic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C18H15F3N2O6 MolecularWeight: 412.31671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O6/c19-18(20,21)12-6-7-14(15(10-12)23(26)27)22-16(24)11-29-17(25)8-9-28-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,22,24)