[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 3,5-dinitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 3,5-dinitrobenzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C16H10F3N3O7 MolecularWeight: 413.26171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10F3N3O7/c17-16(18,19)10-2-1-3-11(6-10)20-14(23)8-29-15(24)9-4-12(21(25)26)7-13(5-9)22(27)28/h1-7H,8H2,(H,20,23)