3-(2-chloranylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-chloranylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-chlorophenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-chlorophenoxy)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-chlorophenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-chlorophenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C23H22ClF3N2O4 MolecularWeight: 482.87999

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Cl)C(F)(F)F)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Cl)C(F)(F)F)[O-]

InChI

InChI=1S/C23H22ClF3N2O4/c1-2-28-9-11-29(12-10-28)13-15-17(30)8-7-14-19(31)21(22(23(25,26)27)33-20(14)15)32-18-6-4-3-5-16(18)24/h3-8,30H,2,9-13H2,1H3