[1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl] 2-chloranyl-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C17H12ClF3N2O6 MolecularWeight: 432.73519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC(F)(F)F)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClF3N2O6/c1-9(28-16(25)13-8-11(23(26)27)4-7-14(13)18)15(24)22-10-2-5-12(6-3-10)29-17(19,20)21/h2-9H,1H3,(H,22,24)