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

Systemtic Name: 3-(2-chloranylphenoxy)-4-oxidanylidene-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-chlorophenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-chlorophenoxy)-4-oxo-8-(1-pyrrolidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-chlorophenoxy)-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-chlorophenoxy)-4-keto-8-(pyrrolidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C21H17ClF3NO4 MolecularWeight: 439.81219

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Cl)C(F)(F)F)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Cl)C(F)(F)F)[O-]

InChI

InChI=1S/C21H17ClF3NO4/c22-14-5-1-2-6-16(14)29-19-17(28)12-7-8-15(27)13(11-26-9-3-4-10-26)18(12)30-20(19)21(23,24)25/h1-2,5-8,27H,3-4,9-11H2