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

Systemtic Name: (5S)-1-butyl-4-[(4-chlorophenyl)-oxidanyl-methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione Openeye Name: (5S)-1-butyl-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione CAS Name: (5S)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione IUPAC Name: (5S)-1-butyl-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione Traditional Name: (5S)-1-butyl-4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3-nitrophenyl)pyrrolidine-2,3-quinone Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-2-3-11-23-18(14-5-4-6-16(12-14)24(28)29)17(20(26)21(23)27)19(25)13-7-9-15(22)10-8-13/h4-10,12,18,25H,2-3,11H2,1H3/t18-/m0/s1