(E)-1-(3-fluoranyl-4-morpholin-4-yl-phenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(3-fluoranyl-4-morpholin-4-yl-phenyl)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3-fluoro-4-morpholino-phenyl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-[3-fluoro-4-(4-morpholinyl)phenyl]-3-(3-nitro-4-propan-2-ylphenyl)-2-propen-1-one IUPAC Name: (E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(3-fluoro-4-morpholino-phenyl)-3-(4-isopropyl-3-nitro-phenyl)prop-2-en-1-one Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)N3CCOCC3)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)N3CCOCC3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN2O4/c1-15(2)18-6-3-16(13-21(18)25(27)28)4-8-22(26)17-5-7-20(19(23)14-17)24-9-11-29-12-10-24/h3-8,13-15H,9-12H2,1-2H3/b8-4+