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

Systemtic Name: 2-[2-[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]ethanoylamino]terephthalic acid Openeye Name: 2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]terephthalic acid CAS Name: 2-[[1-oxo-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]ethyl]amino]terephthalic acid IUPAC Name: 2-[[2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetyl]amino]terephthalic acid Traditional Name: 2-[[2-[2-keto-5-(trifluoromethyl)-1-pyridyl]acetyl]amino]terephthalic acid Formula: C16H11F3N2O6 MolecularWeight: 384.26355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CN2C=C(C=CC2=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H11F3N2O6/c17-16(18,19)9-2-4-13(23)21(6-9)7-12(22)20-11-5-8(14(24)25)1-3-10(11)15(26)27/h1-6H,7H2,(H,20,22)(H,24,25)(H,26,27)