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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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