2-(4-bromophenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 2-(4-bromophenyl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 2-(4-bromophenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 2-(4-bromophenyl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(4-bromophenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 5-(4-bromophenyl)-2-keto-4-(5-methyl-2-furoyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Br)CC4=C[NH+]=CC=C4)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Br)CC4=C[NH+]=CC=C4)[O-]

InChI

InChI=1S/C22H17BrN2O4/c1-13-4-9-17(29-13)20(26)18-19(15-5-7-16(23)8-6-15)25(22(28)21(18)27)12-14-3-2-10-24-11-14/h2-11,19,27H,12H2,1H3