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

Systemtic Name: 3-(4-bromophenyl)-8-[(diethylazaniumyl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-8-[(diethylammonio)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-8-[(diethylammonio)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-8-[(diethylazaniumyl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-8-[(diethylammonio)methyl]-4-keto-chromen-7-olate Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-3-22(4-2)11-16-18(23)10-9-15-19(24)17(12-25-20(15)16)13-5-7-14(21)8-6-13/h5-10,12,23H,3-4,11H2,1-2H3