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

Systemtic Name: ethyl 6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxidanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate CAS Name: 6-[4-(hydroxymethyl)-1-imidazolyl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(hydroxymethyl)imidazol-1-yl]-2-oxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Traditional Name: 2-keto-6-(4-methylolimidazol-1-yl)-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C17H14F3N3O4 MolecularWeight: 381.30597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC(=C(C=C2NC1=O)C(F)(F)F)N3C=C(N=C3)CO

Isomeric SMILES

CCOC(=O)C1=CC2=CC(=C(C=C2NC1=O)C(F)(F)F)N3C=C(N=C3)CO

InChI

InChI=1S/C17H14F3N3O4/c1-2-27-16(26)11-3-9-4-14(23-6-10(7-24)21-8-23)12(17(18,19)20)5-13(9)22-15(11)25/h3-6,8,24H,2,7H2,1H3,(H,22,25)