3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: 3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: 3-(2-furylmethylammonio)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoate CAS Name: 3-(2-furanylmethylammonio)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoate IUPAC Name: 3-(furan-2-ylmethylazaniumyl)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoate Traditional Name: 3-(2-furfurylammonio)-4-keto-4-[3-(trifluoromethyl)anilino]butyrate Formula: C16H15F3N2O4 MolecularWeight: 356.29651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2)C(F)(F)F

InChI

InChI=1S/C16H15F3N2O4/c17-16(18,19)10-3-1-4-11(7-10)21-15(24)13(8-14(22)23)20-9-12-5-2-6-25-12/h1-7,13,20H,8-9H2,(H,21,24)(H,22,23)