3-(furan-2-ylcarbonyl)-2-(3-nitrophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate

Systemtic Name: 3-(furan-2-ylcarbonyl)-2-(3-nitrophenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-2-(3-nitrophenyl)-5-oxo-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-2-(3-nitrophenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-5-(3-nitrophenyl)-1-(pyridin-1-ium-3-ylmethyl)-3-pyrrolin-3-olate Formula: C21H15N3O6 MolecularWeight: 405.3603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CO4

InChI

InChI=1S/C21H15N3O6/c25-19(16-7-3-9-30-16)17-18(14-5-1-6-15(10-14)24(28)29)23(21(27)20(17)26)12-13-4-2-8-22-11-13/h1-11,18,26H,12H2