ethyl 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: ethyl 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: ethyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]benzoate CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2,6-dinitro-4-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]benzoic acid ethyl ester Formula: C16H12F3N3O6 MolecularWeight: 399.27819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N3O6/c1-2-28-15(23)10-5-3-4-6-11(10)20-14-12(21(24)25)7-9(16(17,18)19)8-13(14)22(26)27/h3-8,20H,2H2,1H3