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

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-carbethoxyphenoxy)-8-[(dimethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C22H20F3NO6 MolecularWeight: 451.39251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)[O-])C(F)(F)F

InChI

InChI=1S/C22H20F3NO6/c1-4-30-21(29)12-5-7-13(8-6-12)31-19-17(28)14-9-10-16(27)15(11-26(2)3)18(14)32-20(19)22(23,24)25/h5-10,27H,4,11H2,1-3H3