Molecule record

(3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

C₂₁H₁₃F₃N₂O₄

414.34 g/mol

Loading structure

Molecular properties

Alkane / alkyl carbon

Alkyl halide

Aromatic ring

Ester

Ether

Secondary amine

No source-backed physical properties are curated for this molecule yet.

2-[[3-(Trifluoromethyl)phenyl]amino]-3-pyridinecarboxylic acid 1,3-dihydro-3-oxo-1-isobenzofuranyl ester
3-Oxo-1,3-dihydroisobenzofuran-1-yl 2-((3-(trifluoromethyl)phenyl)amino)nicotinate
3-Phthalidyl ester of 2-((3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylic acid
3-oxo-1,3-dihydro-2-benzofuran-1-yl 2-((3-(trifluoromethyl)phenyl)amino)pyridine-3-carboxylate
66898-62-2
BA 7602-06
BA7602-06; Somalgen
DTXCID1026740

Show all 24 synonyms

DTXSID3046740
JFK78S0U9S
Lomucin
MFCD00866135
MSI-1995
NCGC00167754-01
Phthalidyl 2-(3-trifluoromethylanilino)nicotinate
RefChem:891040
Somalgen
Talniflumate
Talniflumato
Talniflumatum
Talniflumatum [INN-Latin]
Tox21_112584_1
UNII-JFK78S0U9S
[(1R)-3-oxo-1H-2-benzofuran-1-yl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

Canonical SMILES: O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21
Isomeric SMILES: C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)
InChIKey: ANMLJLFWUCQGKZ-UHFFFAOYSA-N
PubChem CID: 48229

Tabs appear only for spectra stored with clear provenance.

No redistributable or simulated spectroscopy record is attached yet.

On-demand educational prediction for (3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate; not experimental data.

On-demand educational fragmentation for (3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate; not experimental data.

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