(2R)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-3-ethanoyl-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[2-(dimethylammonio)ethyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[2-(dimethylazaniumyl)ethyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[2-(dimethylammonio)ethyl]-2-keto-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C16H19N3O5 MolecularWeight: 333.33916

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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/t14-/m1/s1