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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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