(E)-3-(dimethylamino)-1-(4-nitrophenyl)but-2-en-1-one

Systemtic Name: (E)-3-(dimethylamino)-1-(4-nitrophenyl)but-2-en-1-one Openeye Name: (E)-3-(dimethylamino)-1-(4-nitrophenyl)but-2-en-1-one CAS Name: (E)-3-(dimethylamino)-1-(4-nitrophenyl)-2-buten-1-one IUPAC Name: (E)-3-(dimethylamino)-1-(4-nitrophenyl)but-2-en-1-one Traditional Name: (E)-3-(dimethylamino)-1-(4-nitrophenyl)but-2-en-1-one Formula: C12H14N2O3 MolecularWeight: 234.25116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3/c1-9(13(2)3)8-12(15)10-4-6-11(7-5-10)14(16)17/h4-8H,1-3H3/b9-8+