(3E)-3-[(3-nitrophenyl)methylidene]-6-phenethyl-6-propyl-oxane-2,4-dione

Systemtic Name: (3E)-3-[(3-nitrophenyl)methylidene]-6-phenethyl-6-propyl-oxane-2,4-dione Openeye Name: (3E)-3-[(3-nitrophenyl)methylene]-6-phenethyl-6-propyl-tetrahydropyran-2,4-dione CAS Name: (3E)-3-[(3-nitrophenyl)methylidene]-6-phenethyl-6-propyloxane-2,4-dione IUPAC Name: (3E)-3-[(3-nitrophenyl)methylidene]-6-phenethyl-6-propyloxane-2,4-dione Traditional Name: (3E)-3-(3-nitrobenzylidene)-6-phenethyl-6-propyl-tetrahydropyran-2,4-quinone Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O1)CCC3=CC=CC=C3

Isomeric SMILES

CCCC1(CC(=O)/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)O1)CCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO5/c1-2-12-23(13-11-17-7-4-3-5-8-17)16-21(25)20(22(26)29-23)15-18-9-6-10-19(14-18)24(27)28/h3-10,14-15H,2,11-13,16H2,1H3/b20-15+