8-[(dimethylazaniumyl)methyl]-6-ethyl-3-(2-fluoranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-6-ethyl-3-(2-fluoranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-6-ethyl-3-(2-fluorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-6-ethyl-3-(2-fluorophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-6-ethyl-3-(2-fluorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-6-ethyl-3-(2-fluorophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C21H19F4NO4 MolecularWeight: 425.373473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3F)C[NH+](C)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3F)C[NH+](C)C)[O-]

InChI

InChI=1S/C21H19F4NO4/c1-4-11-9-12-17(28)19(29-15-8-6-5-7-14(15)22)20(21(23,24)25)30-18(12)13(16(11)27)10-26(2)3/h5-9,27H,4,10H2,1-3H3