2-[(2R)-3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2R)-3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-4-acetyl-3-hydroxy-2-keto-5-(3-nitrophenyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C16H20N3O5+ MolecularWeight: 334.3471

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC(=CC=C2)[N+](=O)[O-])CC[NH+](C)C)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])CC[NH+](C)C)O

InChI

InChI=1S/C16H19N3O5/c1-10(20)13-14(11-5-4-6-12(9-11)19(23)24)18(8-7-17(2)3)16(22)15(13)21/h4-6,9,14,21H,7-8H2,1-3H3/p+1/t14-/m1/s1