[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C16H11F3N2O5 MolecularWeight: 368.26415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N2O5/c17-16(18,19)11-4-2-5-12(8-11)20-14(22)9-26-15(23)10-3-1-6-13(7-10)21(24)25/h1-8H,9H2,(H,20,22)