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

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

Click to see the large picture

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