3-[(2S)-3-(furan-2-ylcarbonyl)-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2S)-3-(furan-2-ylcarbonyl)-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-(2-furoyl)-3-hydroxy-2-keto-5-(3-nitrophenyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C20H22N3O6+ MolecularWeight: 400.40518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-21(2)9-5-10-22-17(13-6-3-7-14(12-13)23(27)28)16(19(25)20(22)26)18(24)15-8-4-11-29-15/h3-4,6-8,11-12,17,25H,5,9-10H2,1-2H3/p+1/t17-/m0/s1