6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid

Systemtic Name: 6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Openeye Name: 6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid CAS Name: 6-[4-(hydroxymethyl)-1-imidazolyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid IUPAC Name: 6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Traditional Name: 2-keto-6-(4-methylolimidazol-1-yl)-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid Formula: C15H10F3N3O4 MolecularWeight: 353.25281

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=O)NC2=CC(=C1N3C=C(N=C3)CO)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=C2C=C(C(=O)NC2=CC(=C1N3C=C(N=C3)CO)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H10F3N3O4/c16-15(17,18)10-3-11-7(1-9(14(24)25)13(23)20-11)2-12(10)21-4-8(5-22)19-6-21/h1-4,6,22H,5H2,(H,20,23)(H,24,25)