(2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-ethanoyl-1-[(2S)-2-ethylhexyl]-2-(3-nitrophenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2S)-3-acetyl-1-[(2S)-2-ethylhexyl]-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5S)-4-acetyl-1-[(2S)-2-ethylhexyl]-2-keto-5-(3-nitrophenyl)-3-pyrrolin-3-olate Formula: C20H25N2O5- MolecularWeight: 373.4229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN1C(C(=C(C1=O)[O-])C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)CN1[C@H](C(=C(C1=O)[O-])C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O5/c1-4-6-8-14(5-2)12-21-18(17(13(3)23)19(24)20(21)25)15-9-7-10-16(11-15)22(26)27/h7,9-11,14,18,24H,4-6,8,12H2,1-3H3/p-1/t14-,18-/m0/s1