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

Systemtic Name: [1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-bromanyl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C17H12BrF3N2O5 MolecularWeight: 461.18679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrF3N2O5/c1-9(15(24)22-12-4-2-3-11(8-12)17(19,20)21)28-16(25)10-5-6-13(18)14(7-10)23(26)27/h2-9H,1H3,(H,22,24)