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

Systemtic Name: 3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-(4-morpholin-4-iumylmethyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-bromophenyl)-4-keto-8-(morpholin-4-ium-4-ylmethyl)-2-(trifluoromethyl)chromen-7-olate Formula: C21H17BrF3NO4 MolecularWeight: 484.26319

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C(F)(F)F)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=C(C=C4)Br)C(F)(F)F)[O-]

InChI

InChI=1S/C21H17BrF3NO4/c22-13-3-1-12(2-4-13)17-18(28)14-5-6-16(27)15(11-26-7-9-29-10-8-26)19(14)30-20(17)21(23,24)25/h1-6,27H,7-11H2