(E)-3-(3-nitro-4-piperidin-1-yl-phenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-3-(3-nitro-4-piperidin-1-yl-phenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-3-[3-nitro-4-(1-piperidyl)phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-(1-piperidinyl)phenyl]-1-[3-(trifluoromethyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(3-nitro-4-piperidin-1-ylphenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-3-(3-nitro-4-piperidino-phenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one Formula: C21H19F3N2O3 MolecularWeight: 404.38237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=CC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N2O3/c22-21(23,24)17-6-4-5-16(14-17)20(27)10-8-15-7-9-18(19(13-15)26(28)29)25-11-2-1-3-12-25/h4-10,13-14H,1-3,11-12H2/b10-8+