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

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C16H10BrF3N2O5 MolecularWeight: 447.16021

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H10BrF3N2O5/c17-12-6-1-9(7-13(12)22(25)26)15(24)27-8-14(23)21-11-4-2-10(3-5-11)16(18,19)20/h1-7H,8H2,(H,21,23)