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

Systemtic Name: 3-(4-bromanylphenoxy)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-bromophenoxy)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-bromophenoxy)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenoxy)-8-[(dimethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-bromophenoxy)-8-[(dimethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C19H15BrF3NO4 MolecularWeight: 458.22591

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)Br)C(F)(F)F)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)Br)C(F)(F)F)[O-]

InChI

InChI=1S/C19H15BrF3NO4/c1-24(2)9-13-14(25)8-7-12-15(26)17(18(19(21,22)23)28-16(12)13)27-11-5-3-10(20)4-6-11/h3-8,25H,9H2,1-2H3