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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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