(2S)-3-ethanoyl-1-hexyl-2-(3-nitrophenyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: (2S)-3-ethanoyl-1-hexyl-2-(3-nitrophenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: (2S)-3-acetyl-1-hexyl-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one CAS Name: (2S)-3-acetyl-1-hexyl-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one IUPAC Name: (2S)-3-acetyl-1-hexyl-4-hydroxy-2-(3-nitrophenyl)-2H-pyrrol-5-one Traditional Name: (5S)-4-acetyl-1-hexyl-3-hydroxy-5-(3-nitrophenyl)-3-pyrrolin-2-one Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1[C@H](C(=C(C1=O)O)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5/c1-3-4-5-6-10-19-16(15(12(2)21)17(22)18(19)23)13-8-7-9-14(11-13)20(24)25/h7-9,11,16,22H,3-6,10H2,1-2H3/t16-/m0/s1