3-(2-bromanylphenoxy)-8-[(diethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(diethylazaniumyl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(diethylammonio)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(2-bromophenoxy)-8-[(diethylammonio)methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-8-[(diethylazaniumyl)methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(2-bromophenoxy)-8-[(diethylammonio)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Br)C)[O-]

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=CC=C3Br)C)[O-]

InChI

InChI=1S/C21H22BrNO4/c1-4-23(5-2)12-15-17(24)11-10-14-19(25)20(13(3)26-21(14)15)27-18-9-7-6-8-16(18)22/h6-11,24H,4-5,12H2,1-3H3