3-(1-benzofuran-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(4-nitrophenyl)-3-pyrrolin-3-olate Formula: C25H23N3O7 MolecularWeight: 477.46602

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O7/c29-23(20-15-17-3-1-2-4-19(17)35-20)21-22(16-5-7-18(8-6-16)28(32)33)27(25(31)24(21)30)10-9-26-11-13-34-14-12-26/h1-8,15,22,30H,9-14H2