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

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetate IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetate Formula: C9H5F3N3O6- MolecularWeight: 308.14771

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCC(=O)[O-])[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCC(=O)[O-])[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H6F3N3O6/c10-9(11,12)4-1-5(14(18)19)8(13-3-7(16)17)6(2-4)15(20)21/h1-2,13H,3H2,(H,16,17)/p-1