2-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2R)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2R)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(5R)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(3-nitrophenyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C25H26N3O6+ MolecularWeight: 464.49044

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O6/c1-3-26(4-2)12-13-27-22(17-9-7-10-18(14-17)28(32)33)21(24(30)25(27)31)23(29)20-15-16-8-5-6-11-19(16)34-20/h5-11,14-15,22,30H,3-4,12-13H2,1-2H3/p+1/t22-/m1/s1