4,4-dimethyl-1-(4-nitrophenyl)pentane-1,3-dione

Systemtic Name: 4,4-dimethyl-1-(4-nitrophenyl)pentane-1,3-dione Openeye Name: 4,4-dimethyl-1-(4-nitrophenyl)pentane-1,3-dione CAS Name: 4,4-dimethyl-1-(4-nitrophenyl)pentane-1,3-dione IUPAC Name: 4,4-dimethyl-1-(4-nitrophenyl)pentane-1,3-dione Traditional Name: 4,4-dimethyl-1-(4-nitrophenyl)pentane-1,3-dione Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-13(2,3)12(16)8-11(15)9-4-6-10(7-5-9)14(17)18/h4-7H,8H2,1-3H3