3-butyl-5-[2-[2,2,2-tris(fluoranyl)ethanoyl]pyrrol-1-yl]imidazole-4-carboxylate

Systemtic Name: 3-butyl-5-[2-[2,2,2-tris(fluoranyl)ethanoyl]pyrrol-1-yl]imidazole-4-carboxylate Openeye Name: 3-butyl-5-[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]imidazole-4-carboxylate CAS Name: 3-butyl-5-[2-(2,2,2-trifluoro-1-oxoethyl)-1-pyrrolyl]-4-imidazolecarboxylate IUPAC Name: 3-butyl-5-[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]imidazole-4-carboxylate Traditional Name: 3-butyl-5-[2-(2,2,2-trifluoroacetyl)pyrrol-1-yl]imidazole-4-carboxylate Formula: C14H13F3N3O3- MolecularWeight: 328.26653

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC(=C1C(=O)[O-])N2C=CC=C2C(=O)C(F)(F)F

Isomeric SMILES

CCCCN1C=NC(=C1C(=O)[O-])N2C=CC=C2C(=O)C(F)(F)F

InChI

InChI=1S/C14H14F3N3O3/c1-2-3-6-19-8-18-12(10(19)13(22)23)20-7-4-5-9(20)11(21)14(15,16)17/h4-5,7-8H,2-3,6H2,1H3,(H,22,23)/p-1