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

Systemtic Name: (2S)-1-butyl-3-ethanoyl-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-butyl-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-butyl-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-butyl-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-butyl-2-keto-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C16H17N2O5- MolecularWeight: 317.31658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C1=O)[O-])C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN1[C@H](C(=C(C1=O)[O-])C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-3-4-8-17-14(13(10(2)19)15(20)16(17)21)11-6-5-7-12(9-11)18(22)23/h5-7,9,14,20H,3-4,8H2,1-2H3/p-1/t14-/m0/s1