3,5-dinitro-4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid

Systemtic Name: 3,5-dinitro-4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid Openeye Name: 3,5-dinitro-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid CAS Name: 3,5-dinitro-4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid IUPAC Name: 3,5-dinitro-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid Traditional Name: 3,5-dinitro-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid Formula: C9H4F3N3O7 MolecularWeight: 323.13917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4F3N3O7/c10-9(11,12)8(18)13-6-4(14(19)20)1-3(7(16)17)2-5(6)15(21)22/h1-2H,(H,13,18)(H,16,17)