(5E)-5-[(3-nitrophenyl)methylidene]undecan-6-one

Systemtic Name: (5E)-5-[(3-nitrophenyl)methylidene]undecan-6-one Openeye Name: (5E)-5-[(3-nitrophenyl)methylene]undecan-6-one CAS Name: (5E)-5-[(3-nitrophenyl)methylidene]-6-undecanone IUPAC Name: (5E)-5-[(3-nitrophenyl)methylidene]undecan-6-one Traditional Name: (E)-2-butyl-1-(3-nitrophenyl)oct-1-en-3-one Formula: C18H25NO3 MolecularWeight: 303.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])CCCC

Isomeric SMILES

CCCCCC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/CCCC

InChI

InChI=1S/C18H25NO3/c1-3-5-7-12-18(20)16(10-6-4-2)13-15-9-8-11-17(14-15)19(21)22/h8-9,11,13-14H,3-7,10,12H2,1-2H3/b16-13+