(5S)-1-butyl-4-[(4-nitrophenyl)-oxidanyl-methylidene]-5-phenyl-pyrrolidine-2,3-dione

Systemtic Name: (5S)-1-butyl-4-[(4-nitrophenyl)-oxidanyl-methylidene]-5-phenyl-pyrrolidine-2,3-dione Openeye Name: (5S)-1-butyl-4-[hydroxy-(4-nitrophenyl)methylene]-5-phenyl-pyrrolidine-2,3-dione CAS Name: (5S)-1-butyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione IUPAC Name: (5S)-1-butyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione Traditional Name: (5S)-1-butyl-4-[hydroxy-(4-nitrophenyl)methylene]-5-phenyl-pyrrolidine-2,3-quinone Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1[C@H](C(=C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-2-3-13-22-18(14-7-5-4-6-8-14)17(20(25)21(22)26)19(24)15-9-11-16(12-10-15)23(27)28/h4-12,18,24H,2-3,13H2,1H3/t18-/m0/s1