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

Systemtic Name: (4E)-1-hexadecyl-4-[(4-nitrophenyl)-oxidanyl-methylidene]-5-phenyl-pyrrolidine-2,3-dione Openeye Name: (4E)-1-hexadecyl-4-[hydroxy-(4-nitrophenyl)methylene]-5-phenyl-pyrrolidine-2,3-dione CAS Name: (4E)-1-hexadecyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione IUPAC Name: (4E)-1-hexadecyl-4-[hydroxy-(4-nitrophenyl)methylidene]-5-phenylpyrrolidine-2,3-dione Traditional Name: (4E)-1-cetyl-4-[hydroxy-(4-nitrophenyl)methylene]-5-phenyl-pyrrolidine-2,3-quinone Formula: C33H44N2O5 MolecularWeight: 548.71286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(C(=C(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C1=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(/C(=C(/C2=CC=C(C=C2)[N+](=O)[O-])\O)/C(=O)C1=O)C3=CC=CC=C3

InChI

InChI=1S/C33H44N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-34-30(26-19-16-15-17-20-26)29(32(37)33(34)38)31(36)27-21-23-28(24-22-27)35(39)40/h15-17,19-24,30,36H,2-14,18,25H2,1H3/b31-29+