3-(4-bromophenyl)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(4-bromophenyl)-8-[(dimethylazaniumyl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-[(dimethylammonio)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-[(dimethylazaniumyl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-bromophenyl)-8-[(dimethylammonio)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C19H15BrF3NO3 MolecularWeight: 442.22651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Br)C(F)(F)F)[O-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Br)C(F)(F)F)[O-]

InChI

InChI=1S/C19H15BrF3NO3/c1-24(2)9-13-14(25)8-7-12-16(26)15(10-3-5-11(20)6-4-10)18(19(21,22)23)27-17(12)13/h3-8,25H,9H2,1-2H3