4-nitro-2-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid

Systemtic Name: 4-nitro-2-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid Openeye Name: 4-nitro-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid CAS Name: 4-nitro-2-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid IUPAC Name: 4-nitro-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid Traditional Name: 4-nitro-2-[(2,2,2-trifluoroacetyl)amino]benzoic acid Formula: C9H5F3N2O5 MolecularWeight: 278.14161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5F3N2O5/c10-9(11,12)8(17)13-6-3-4(14(18)19)1-2-5(6)7(15)16/h1-3H,(H,13,17)(H,15,16)