3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(dimethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C21H20F3NO5 MolecularWeight: 423.38241

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)[O-]

InChI

InChI=1S/C21H20F3NO5/c1-25(2)10-13-14(26)7-6-12-18(27)17(20(21(22,23)24)30-19(12)13)11-5-8-15(28-3)16(9-11)29-4/h5-9,26H,10H2,1-4H3