(2S)-3-ethanoyl-1-(2-methoxyethyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-(2-methoxyethyl)-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-(2-methoxyethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-(2-methoxyethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-(2-methoxyethyl)-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-2-keto-1-(2-methoxyethyl)-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C15H15N2O6- MolecularWeight: 319.2894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O6/c1-9(18)12-13(10-4-3-5-11(8-10)17(21)22)16(6-7-23-2)15(20)14(12)19/h3-5,8,13,19H,6-7H2,1-2H3/p-1/t13-/m0/s1