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

Systemtic Name: 3-iodanyl-5-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid Openeye Name: 3-iodo-5-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid CAS Name: 3-iodo-5-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-iodo-5-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid Traditional Name: 3-iodo-5-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid Formula: C10H7F3INO3 MolecularWeight: 373.06716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)I)NC(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)I)NC(=O)C(F)(F)F

InChI

InChI=1S/C10H7F3INO3/c1-4-2-5(8(16)17)3-6(14)7(4)15-9(18)10(11,12)13/h2-3H,1H3,(H,15,18)(H,16,17)