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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O7/c26-20(17-6-2-11-32-17)18-19(15-4-1-5-16(14-15)25(29)30)24(22(28)21(18)27)8-3-7-23-9-12-31-13-10-23/h1-2,4-6,11,14,19,27H,3,7-10,12-13H2