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

Systemtic Name: 2-[(2S)-3-(furan-2-ylcarbonyl)-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-furanyl(oxo)methyl]-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-(2-furoyl)-3-hydroxy-2-keto-5-(4-nitrophenyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C19H20N3O6+ MolecularWeight: 386.3786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CO2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-20(2)9-10-21-16(12-5-7-13(8-6-12)22(26)27)15(18(24)19(21)25)17(23)14-4-3-11-28-14/h3-8,11,16,24H,9-10H2,1-2H3/p+1/t16-/m0/s1