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

Systemtic Name: 8-[(dimethylazaniumyl)methyl]-3-(3-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(dimethylammonio)methyl]-3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(dimethylammonio)methyl]-3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(dimethylazaniumyl)methyl]-3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(dimethylammonio)methyl]-4-keto-3-(3-methoxyphenoxy)-2-(trifluoromethyl)chromen-7-olate Formula: C20H18F3NO5 MolecularWeight: 409.35583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO5/c1-24(2)10-14-15(25)8-7-13-16(26)18(19(20(21,22)23)29-17(13)14)28-12-6-4-5-11(9-12)27-3/h4-9,25H,10H2,1-3H3