2-[[1-cyano-4-oxidanyl-7-(trifluoromethyl)isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-cyano-4-oxidanyl-7-(trifluoromethyl)isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-cyano-4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-cyano-4-hydroxy-7-(trifluoromethyl)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-cyano-4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-cyano-4-hydroxy-7-(trifluoromethyl)isoquinoline-3-carbonyl]amino]acetic acid Formula: C14H8F3N3O4 MolecularWeight: 339.22623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=NC(=C2C=C1C(F)(F)F)C#N)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC2=C(C(=NC(=C2C=C1C(F)(F)F)C#N)C(=O)NCC(=O)O)O

InChI

InChI=1S/C14H8F3N3O4/c15-14(16,17)6-1-2-7-8(3-6)9(4-18)20-11(12(7)23)13(24)19-5-10(21)22/h1-3,23H,5H2,(H,19,24)(H,21,22)