3-(2-bromanylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-bromophenoxy)-8-(4-morpholin-4-iumylmethyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-bromophenoxy)-4-keto-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C21H17BrF3NO5 MolecularWeight: 500.26259

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4Br)C(F)(F)F)[O-]

InChI

InChI=1S/C21H17BrF3NO5/c22-14-3-1-2-4-16(14)30-19-17(28)12-5-6-15(27)13(11-26-7-9-29-10-8-26)18(12)31-20(19)21(23,24)25/h1-6,27H,7-11H2