4,4-dimethyl-1-(2-nitrophenyl)pentane-1,3-dione

Systemtic Name: 4,4-dimethyl-1-(2-nitrophenyl)pentane-1,3-dione Openeye Name: 4,4-dimethyl-1-(2-nitrophenyl)pentane-1,3-dione CAS Name: 4,4-dimethyl-1-(2-nitrophenyl)pentane-1,3-dione IUPAC Name: 4,4-dimethyl-1-(2-nitrophenyl)pentane-1,3-dione Traditional Name: 4,4-dimethyl-1-(2-nitrophenyl)pentane-1,3-dione Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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