5-nitro-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid

Systemtic Name: 5-nitro-2-[3,3,3-tris(fluoranyl)propanoylamino]benzoic acid Openeye Name: 5-nitro-2-(3,3,3-trifluoropropanoylamino)benzoic acid CAS Name: 5-nitro-2-[(3,3,3-trifluoro-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-nitro-2-(3,3,3-trifluoropropanoylamino)benzoic acid Traditional Name: 5-nitro-2-(3,3,3-trifluoropropanoylamino)benzoic acid Formula: C10H7F3N2O5 MolecularWeight: 292.16819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7F3N2O5/c11-10(12,13)4-8(16)14-7-2-1-5(15(19)20)3-6(7)9(17)18/h1-3H,4H2,(H,14,16)(H,17,18)