2-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]terephthalic acid

Systemtic Name: 2-[2-[3-chloranyl-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]terephthalic acid CAS Name: 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxoethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[3-chloro-2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]terephthalic acid Formula: C16H10ClF3N2O6 MolecularWeight: 418.70861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CN2C=C(C=C(C2=O)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H10ClF3N2O6/c17-10-4-8(16(18,19)20)5-22(13(10)24)6-12(23)21-11-3-7(14(25)26)1-2-9(11)15(27)28/h1-5H,6H2,(H,21,23)(H,25,26)(H,27,28)