(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromophenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-(benzofuran-2-carbonyl)-2-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-[2-benzofuranyl(oxo)methyl]-2-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-2-(3-bromophenyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-(benzofuran-2-carbonyl)-5-(3-bromophenyl)-1-[2-(diethylammonio)ethyl]-2-keto-3-pyrrolin-3-olate Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)Br

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H25BrN2O4/c1-3-27(4-2)12-13-28-22(17-9-7-10-18(26)14-17)21(24(30)25(28)31)23(29)20-15-16-8-5-6-11-19(16)32-20/h5-11,14-15,22,30H,3-4,12-13H2,1-2H3/t22-/m1/s1