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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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