3-(4-methoxycarbonylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(4-methoxycarbonylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-methoxycarbonylphenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-methoxycarbonylphenoxy)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxycarbonylphenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-4-keto-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C23H20F3NO6 MolecularWeight: 463.40321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCCC4)[O-])C(F)(F)F

InChI

InChI=1S/C23H20F3NO6/c1-31-22(30)13-4-6-14(7-5-13)32-20-18(29)15-8-9-17(28)16(12-27-10-2-3-11-27)19(15)33-21(20)23(24,25)26/h4-9,28H,2-3,10-12H2,1H3