(3Z)-3-[(3-nitrophenyl)methylidene]-4-oxidanyl-6-phenethyl-6-propyl-oxan-2-one

Systemtic Name: (3Z)-3-[(3-nitrophenyl)methylidene]-4-oxidanyl-6-phenethyl-6-propyl-oxan-2-one Openeye Name: (3Z)-4-hydroxy-3-[(3-nitrophenyl)methylene]-6-phenethyl-6-propyl-tetrahydropyran-2-one CAS Name: (3Z)-4-hydroxy-3-[(3-nitrophenyl)methylidene]-6-phenethyl-6-propyl-2-oxanone IUPAC Name: (3Z)-4-hydroxy-3-[(3-nitrophenyl)methylidene]-6-phenethyl-6-propyloxan-2-one Traditional Name: (3Z)-4-hydroxy-3-(3-nitrobenzylidene)-6-phenethyl-6-propyl-tetrahydropyran-2-one Formula: C23H25NO5 MolecularWeight: 395.4483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/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/h3-10,14-15,21,25H,2,11-13,16H2,1H3/b20-15-