3-(1-benzofuran-2-ylcarbonyl)-2-(4-tert-butylphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-tert-butylphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-tert-butylphenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(4-tert-butylphenyl)-2-keto-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C29H26N2O4 MolecularWeight: 466.52774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H26N2O4/c1-29(2,3)21-12-10-19(11-13-21)25-24(26(32)23-15-20-8-4-5-9-22(20)35-23)27(33)28(34)31(25)17-18-7-6-14-30-16-18/h4-16,25,33H,17H2,1-3H3