2-methyl-1-(3-nitrophenyl)pentane-1,3-dione

Systemtic Name: 2-methyl-1-(3-nitrophenyl)pentane-1,3-dione Openeye Name: 2-methyl-1-(3-nitrophenyl)pentane-1,3-dione CAS Name: 2-methyl-1-(3-nitrophenyl)pentane-1,3-dione IUPAC Name: 2-methyl-1-(3-nitrophenyl)pentane-1,3-dione Traditional Name: 2-methyl-1-(3-nitrophenyl)pentane-1,3-dione Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-3-11(14)8(2)12(15)9-5-4-6-10(7-9)13(16)17/h4-8H,3H2,1-2H3