8-[(diethylazaniumyl)methyl]-3-(2-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 8-[(diethylazaniumyl)methyl]-3-(2-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 8-[(diethylammonio)methyl]-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 8-[(diethylammonio)methyl]-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 8-[(diethylazaniumyl)methyl]-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 8-[(diethylammonio)methyl]-4-keto-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-7-olate Formula: C22H22F3NO4 MolecularWeight: 421.40959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3OC)C(F)(F)F)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=CC=C3OC)C(F)(F)F)[O-]

InChI

InChI=1S/C22H22F3NO4/c1-4-26(5-2)12-15-16(27)11-10-14-19(28)18(13-8-6-7-9-17(13)29-3)21(22(23,24)25)30-20(14)15/h6-11,27H,4-5,12H2,1-3H3