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

Systemtic Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-carbethoxyphenoxy)-4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C25H25F3N2O6 MolecularWeight: 506.47101

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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+]4CCN(CC4)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+]4CCN(CC4)C)[O-])C(F)(F)F

InChI

InChI=1S/C25H25F3N2O6/c1-3-34-24(33)15-4-6-16(7-5-15)35-22-20(32)17-8-9-19(31)18(14-30-12-10-29(2)11-13-30)21(17)36-23(22)25(26,27)28/h4-9,31H,3,10-14H2,1-2H3