2-(3-bromophenyl)-3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(3-bromophenyl)-3-(furan-2-ylcarbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(3-bromophenyl)-3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3-bromophenyl)-3-[2-furanyl(oxo)methyl]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3-bromophenyl)-3-(furan-2-carbonyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3-bromophenyl)-4-(2-furoyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-3-pyrrolin-3-olate Formula: C21H18BrN3O4 MolecularWeight: 456.28932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C21H18BrN3O4/c22-15-5-1-4-14(12-15)18-17(19(26)16-6-2-11-29-16)20(27)21(28)25(18)9-3-8-24-10-7-23-13-24/h1-2,4-7,10-13,18H,3,8-9H2,(H,26,27)