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

Systemtic Name: 3-(furan-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-furanyl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(furan-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(2-furoyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(4-nitrophenyl)-3-pyrrolin-3-olate Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C2=O)[O-])C(=O)C3=CC=CO3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c25-19(16-2-1-11-31-16)17-18(14-3-5-15(6-4-14)24(28)29)23(21(27)20(17)26)8-7-22-9-12-30-13-10-22/h1-6,11,18,26H,7-10,12-13H2